- InChI
- InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
- InChI Key
- RNFNDJAIBTYOQL-UHFFFAOYSA-N
- Formula
- C2H3Cl3O2
- SMILES
- OC(O)C(Cl)(Cl)Cl
- Molecular Weight1
- 165.40
- CAS
- 302-17-0
- Other Names
-
- 1,1,1-Trichloro-2,2-dihydroxyethane
- 1,1,1-Trichloro-2,2-ethanediol
- 1,1-Ethanediol, 2,2,2-trichloro-
- 2,2,2-Trichloro-1,1-ethanediol
- 2,2,2-trichloroethane-1,1-diol
- Aquachloral
- Bi 3411
- Chloradorm
- Chloral monohydrate
- Chloraldurat
- Cohidrate
- Dormal
- Escre
- Felsules
- Hydral
- Hydrate de chloral
- Hynos
- Kessodrate
- Lorinal
- Lycoral
- NSC 3210
- Noctec
- Nortec
- Nycoton
- Nycton
- Oradrate
- Phaldrone
- Rectules
- SK-Chloral hydrate
- Somni Sed
- Somnos
- Sontec
- Tosyl
- Trawotox
- Trichloracetaldehyd-hydrat
- Trichloroacetaldehyde hydrate
- Trichloroacetaldehyde monohydrate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -343.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.88 | kJ/mol | Joback Calculated Property |
| log10WS | [0.72; 1.70] |
|
|
| log10WS | 0.72 | Aq. Sol... | |
| log10WS | 1.70 | Rytting... | |
| logPoct/wat | 0.667 | Crippen Calculated Property | |
| McVol | 87.500 | ml/mol | McGowan Calculated Property |
| Pc | 5827.17 | kPa | Joback Calculated Property |
| Inp | [695.00; 705.00] |
|
|
| Inp | 698.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 695.00 | NIST | |
| Tboil | 538.14 | K | Joback Calculated Property |
| Tc | 728.62 | K | Joback Calculated Property |
| Tfus | [330.00; 349.00] | K |
|
| Tfus | 349.00 ± 3.00 | K | NIST |
| Tfus | 330.00 ± 15.00 | K | NIST |
| Vc | 0.316 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.63; 173.46] | J/mol×K | [538.14; 728.62] |
|
| Cp,gas | 156.63 | J/mol×K | 538.14 | Joback Calculated Property |
| Cp,gas | 160.16 | J/mol×K | 569.89 | Joback Calculated Property |
| Cp,gas | 163.36 | J/mol×K | 601.63 | Joback Calculated Property |
| Cp,gas | 166.26 | J/mol×K | 633.38 | Joback Calculated Property |
| Cp,gas | 168.90 | J/mol×K | 665.13 | Joback Calculated Property |
| Cp,gas | 171.29 | J/mol×K | 696.87 | Joback Calculated Property |
| Cp,gas | 173.46 | J/mol×K | 728.62 | Joback Calculated Property |
| η | [0.0000856; 0.0522538] | Pa×s | [311.12; 538.14] |
|
| η | 0.0522538 | Pa×s | 311.12 | Joback Calculated Property |
| η | 0.0100500 | Pa×s | 348.96 | Joback Calculated Property |
| η | 0.0026686 | Pa×s | 386.79 | Joback Calculated Property |
| η | 0.0008975 | Pa×s | 424.63 | Joback Calculated Property |
| η | 0.0003608 | Pa×s | 462.47 | Joback Calculated Property |
| η | 0.0001664 | Pa×s | 500.30 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 538.14 | Joback Calculated Property |
| ΔsubH | 50.90 | kJ/mol | 291.00 | NIST |
| ΔvapH | [38.40; 51.50] | kJ/mol | [316.00; 347.50] |
|
| ΔvapH | 51.50 | kJ/mol | 316.00 | NIST |
| ΔvapH | 38.40 | kJ/mol | 324.00 | NIST |
| ΔvapH | 49.60 | kJ/mol | 347.50 | NIST |
Similar Compounds
Find more compounds similar to Chloral Hydrate.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
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