- InChI
- InChI=1S/C5H7Cl/c1-3-5(2)4-6/h3-4H,1H2,2H3/b5-4+
- InChI Key
- ITQIRXSIZVCCPM-SNAWJCMRSA-N
- Formula
- C5H7Cl
- SMILES
- C=CC(C)=CCl
- Molecular Weight1
- 102.56
- CAS
- 35383-51-8
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 138.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 70.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.48 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 2.315 | Crippen Calculated Property | |
| McVol | 84.950 | ml/mol | McGowan Calculated Property |
| Pc | 3736.23 | kPa | Joback Calculated Property |
| Inp | [701.00; 701.00] |
|
|
| Inp | 701.00 | NIST | |
| Inp | 701.00 | NIST | |
| Tboil | 380.20 | K | NIST |
| Tc | 541.93 | K | Joback Calculated Property |
| Tfus | 155.23 | K | Joback Calculated Property |
| Vc | 0.327 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.88; 166.31] | J/mol×K | [351.95; 541.93] |
|
| Cp,gas | 123.88 | J/mol×K | 351.95 | Joback Calculated Property |
| Cp,gas | 132.05 | J/mol×K | 383.61 | Joback Calculated Property |
| Cp,gas | 139.75 | J/mol×K | 415.28 | Joback Calculated Property |
| Cp,gas | 147.00 | J/mol×K | 446.94 | Joback Calculated Property |
| Cp,gas | 153.83 | J/mol×K | 478.60 | Joback Calculated Property |
| Cp,gas | 160.26 | J/mol×K | 510.26 | Joback Calculated Property |
| Cp,gas | 166.31 | J/mol×K | 541.93 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 323.60 | K | 13.30 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Butadiene, 1-chloro-2-methyl-.
Sources
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