- InChI
- InChI=1S/C4H5Cl3/c1-3(2-5)4(6)7/h2H2,1H3
- InChI Key
- GVFGURPOQVIHNM-UHFFFAOYSA-N
- Formula
- C4H5Cl3
- SMILES
- CC(CCl)=C(Cl)Cl
- Molecular Weight1
- 159.44
- CAS
- 31702-33-7
- Other Names
-
- Propene, 1,1,3-trichloro-2-methyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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° | 10.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -75.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.77 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 2.934 | Crippen Calculated Property | |
| McVol | 99.640 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback Calculated Property |
| Inp | [921.00; 921.00] |
|
|
| Inp | 921.00 | NIST | |
| Inp | 921.00 | NIST | |
| Tboil | 427.00 ± 8.00 | K | NIST |
| Tc | 615.84 | K | Joback Calculated Property |
| Tfus | 191.60 | K | Joback Calculated Property |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.79; 181.97] | J/mol×K | [407.13; 615.84] |
|
| Cp,gas | 147.79 | J/mol×K | 407.13 | Joback Calculated Property |
| Cp,gas | 154.55 | J/mol×K | 441.91 | Joback Calculated Property |
| Cp,gas | 160.85 | J/mol×K | 476.70 | Joback Calculated Property |
| Cp,gas | 166.71 | J/mol×K | 511.48 | Joback Calculated Property |
| Cp,gas | 172.16 | J/mol×K | 546.27 | Joback Calculated Property |
| Cp,gas | 177.24 | J/mol×K | 581.05 | Joback Calculated Property |
| Cp,gas | 181.97 | J/mol×K | 615.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 1,1,3-trichloro-2-methyl-.
Sources
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