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EC number: 231-154-9 | CAS number: 7440-45-1
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data

Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- The Facility for the Analysis of the Chemical Thermodynamics (FACT, http://www.crct.polymtl.ca/fact/) is a thermochemical database for calculations in chemical metallurgy which has been developed by the École Polytechnique de Montreal and McGill University in Canada since 1976. This Database has been recommended in the ECHA guidance on information requirements and chemical safety assessment (Chapter R.7a) to estimate the solubility of sparingly soluble metal compounds.
Data source
Reference
- Reference Type:
- other: Database
- Title:
- Facility for Analysis of Chemical Thermodynamics (FACT)
- Author:
- École Polytechnique de Montreal and McGill University in Canada
- Year:
- 1 976
- Bibliographic source:
- http://www.crct.polymtl.ca/fact/)
Materials and methods
- Principles of method if other than guideline:
- The FACT database for the calculation of the aqueous solution equilibrium evaluates and optimizes data from the primary literature by incorporating various solution models (Margules polynomials, Unified Interaction Parameter Formalism, Quasi-chemical model, Sub-lattice models, Pitzer parameters, etc).
- GLP compliance:
- no
- Remarks:
- Not applicable for modelled data
- Type of method:
- other: Modelled data
Test material
- Reference substance name:
- Cerium
- EC Number:
- 231-154-9
- EC Name:
- Cerium
- Cas Number:
- 7440-45-1
- Molecular formula:
- Ce
- IUPAC Name:
- cerium(3+)
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 0.002 mg/L
- Temp.:
- 25 °C
- pH:
- ca. 8.9
- Details on results:
- 1 mol of cerium metal dissolved in 55.5 mol (= 1 kg) water releases approx. 2 mol ideal gas H2, 55.5 mol liquid H2O and 1 mol CeO2 solid. Ce metal is therefore poorly soluble, being Ce3+ the only specie released into the water phase that may be of relevance. Knowing that the MW = 140,12 and that 1kg H2O = 1L, the saturation mass concentration of Ce in solution is 1.5552E-08 mol/L (= 2,1794E-03 mg /L)
Any other information on results incl. tables
FACT Format
55.508 H2O + Ce =
2.0639 mol gas_ideal
(5.1959 gram, 2.0639 mol, 50.626 litre, 1.0263E-04 g/ml)
(298.15 K, 1 atm, a=1.0000)
( 0.96865 H2
+ 3.1352E-02 H2O
+ 2.3864E-36 H
+ 2.8059E-48 OH
+ 2.4287E-65 HOOH
+ 1.3218E-73 CeO3H3)
+ 53.444 mol aqueous
(962.80 gram, 53.444 mol)
(298.15 K, 1 atm, a=1.0000)
( 55.508 H2O_liquid
+ 8.2212E-04 H2
+ 7.7706E-06 OH[-]
+ 2.5898E-06 Ce[3+] T
+ 1.2718E-09 H[+]
+ 1.1327E-44 Ce[4+] T
+ 2.4700E-60 HOOH
+ 3.9067E-63 HO2[-])
(Eh=-0.526 V, pH= 8.896)
+ 1.0000 mol CeO2_solid
(172.11 gram, 1.0000 mol)
(298.15 K, 1 atm, S1, a=1.0000)
+ 0.00000 mol H2O_ice T
(298.15 K, 1 atm, S1, a=0.78721)
+ 0.00000 mol Ce6O11_solid
(298.15 K, 1 atm, S1, a=1.6838E-11)
+ 0.00000 mol Ce2O3_solid
(298.15 K, 1 atm, S1, a=1.0748E-19)
+ 0.00000 mol Ce18O31_solid
(298.15 K, 1 atm, S1, a=7.9859E-57)
+ 0.00000 mol CeH2_solid
(298.15 K, 1 atm, S1, a=3.8254E-69)
The cutoff concentration has been specified to 1.0000E-75
Data on 3 product species identified with "T" have been extrapolated
*****************************************************************
H G V S Cp
(J) (J) (litre) (J/K) (J/K)
*****************************************************************
-1.63813E+07 -1.75967E+07 5.06265E+01 4.07644E+03 4.32481E+03
Total mass/gram = 1140.1
Total mass/gram excluding gas = 1134.9
ChemSage Format
T = 298.15 K
P = 1.00000E+00 atm
V = 5.06265E+01 dm3
STREAM CONSTITUENTS AMOUNT/mol
H2O 5.5508E+01
Ce 1.0000E+00
EQUIL AMOUNT MOLE FRACTION FUGACITY
PHASE: gas_ideal mol atm
H2 1.9992E+00 9.6865E-01 9.6865E-01
H2O 6.4707E-02 3.1352E-02 3.1352E-02
H 4.9253E-36 2.3864E-36 2.3864E-36
OH 5.7911E-48 2.8059E-48 2.8059E-48
HOOH 5.0125E-65 2.4287E-65 2.4287E-65
CeO3H3 2.7281E-73 1.3218E-73 1.3218E-73
TOTAL: 2.0639E+00 1.0000E+00 1.0000E+00
PHASE: aqueous mol MOLALITY ACTIVITY
H2O_liquid 5.3443E+01 5.5508E+01 9.9999E-01
H[+] 1.2245E-09 1.2718E-09 1.2718E-09
H2 7.9153E-04 8.2212E-04 8.2212E-04
O2 NOT CALCD. NOT CALCD. <1.0000E-75
OH[-] 7.4815E-06 7.7706E-06 7.7706E-06
HO2[-] 3.7614E-63 3.9067E-63 3.9067E-63
HOOH 2.3781E-60 2.4700E-60 2.4700E-60
Ce[3+] T 2.4934E-06 2.5898E-06 2.5898E-06
Ce[4+] T 1.0905E-44 1.1327E-44 1.1327E-44
TOTAL: 5.3444E+01 1.0000E+00
mol ACTIVITY
CeO2_solid(s) 1.0000E+00 1.0000E+00
H2O_ice(s) T 0.0000E+00 7.8721E-01
Ce6O11_solid(s) 0.0000E+00 1.6838E-11
Ce2O3_solid(s) 0.0000E+00 1.0748E-19
Ce18O31_solid(s) 0.0000E+00 7.9859E-57
CeH2_solid(s) 0.0000E+00 3.8254E-69
********************************************************************
Cp_EQUIL H_EQUIL S_EQUIL G_EQUIL V_EQUIL
J.K-1 J J.K-1 J dm3
********************************************************************
4.32481E+03 -1.63813E+07 4.07644E+03 -1.75967E+07 5.06265E+01
Properties for aqueous:
pH = 8.8956
Eh/V =-0.52602
Total solute molality = 8.3248E-04
Ionic strength = 1.5540E-05
Osmotic coefficient = 1.0000
Mole fraction of system components:
gas_ideal aqueous
Ce 6.5071E-74 1.5552E-08
O 1.5434E-02 0.33333
H 0.98457 0.66667
The cutoff limit for phase or gas constituent activities is 1.0000E-75
Data on 3 constituents marked with 'T' are extrapolated outside their valid
temperature range
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
Cerium metal is insoluble in water at 25°C, 1 atm and pH= 8.89. - Executive summary:
The modelled FACT calculations here confirm the insolubility properties of cerium metal in water, as already known and widely published in other databases and handbooks of high reputation for the scientific community such as RTECS or the CRC Handbook of Chemistry and Physics, respectively.
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