- InChI
- InChI=1S/C4H5Cl3/c5-1-4(2-6)3-7/h1H,2-3H2
- InChI Key
- HPBWGILCMWDPPJ-UHFFFAOYSA-N
- Formula
- C4H5Cl3
- SMILES
- ClC=C(CCl)CCl
- Molecular Weight1
- 159.44
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3017 | Relay (1.0) Calculated Property | |
| ΔfG° | 18.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -75.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.587 | Crippen Calculated Property | |
| McVol | 99.640 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback Calculated Property |
| Inp | [969.00; 969.00] |
|
|
| Inp | 969.00 | NIST | |
| Inp | 969.00 | NIST | |
| Tboil | 457.31 | K | Relay (1.0) Calculated Property |
| Tc | 660.23 | K | Relay (1.0) Calculated Property |
| Tfus | 261.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.346 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.80; 181.61] | J/mol×K | [407.25; 611.67] |
|
| Cp,gas | 147.80 | J/mol×K | 407.25 | Joback Calculated Property |
| Cp,gas | 154.46 | J/mol×K | 441.32 | Joback Calculated Property |
| Cp,gas | 160.68 | J/mol×K | 475.39 | Joback Calculated Property |
| Cp,gas | 166.47 | J/mol×K | 509.46 | Joback Calculated Property |
| Cp,gas | 171.87 | J/mol×K | 543.53 | Joback Calculated Property |
| Cp,gas | 176.91 | J/mol×K | 577.60 | Joback Calculated Property |
| Cp,gas | 181.61 | J/mol×K | 611.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 1,3-dichloro-2-chloromethyl.
Sources
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