- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 155 160 165 170 175 550 600 650 700 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 0.01 0.02 0.03 0.04 0.05 350 400 450 500 | ||||
| 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.