- InChI
- InChI=1S/C10H17ClO2/c1-2-3-4-5-9-13-10(12)7-6-8-11/h3-4H,2,5-9H2,1H3/b4-3+
- InChI Key
- JAWDGGOEFQDOMJ-ONEGZZNKSA-N
- Formula
- C10H17ClO2
- SMILES
- CCC=CCCOC(=O)CCCCl
- Molecular Weight1
- 204.69
- 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).
- 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.
- I : 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° | -132.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.35 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.905 | Crippen Calculated Property | |
| McVol | 167.140 | ml/mol | McGowan Calculated Property |
| Pc | 2231.30 | kPa | Joback Calculated Property |
| Inp | [1377.00; 1402.00] |
|
|
| Inp | 1385.00 | NIST | |
| Inp | 1377.00 | NIST | |
| Inp | 1397.00 | NIST | |
| Inp | 1402.00 | NIST | |
| Inp | 1385.00 | NIST | |
| I | [1875.00; 1960.00] |
|
|
| I | 1875.00 | NIST | |
| I | 1924.00 | NIST | |
| I | 1935.00 | NIST | |
| I | 1960.00 | NIST | |
| I | 1875.00 | NIST | |
| Tboil | 546.08 | K | Joback Calculated Property |
| Tc | 730.87 | K | Joback Calculated Property |
| Tfus | 299.46 | K | Joback Calculated Property |
| Vc | 0.648 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.88; 450.34] | J/mol×K | [546.08; 730.87] |
|
| Cp,gas | 379.88 | J/mol×K | 546.08 | Joback Calculated Property |
| Cp,gas | 393.09 | J/mol×K | 576.88 | Joback Calculated Property |
| Cp,gas | 405.69 | J/mol×K | 607.68 | Joback Calculated Property |
| Cp,gas | 417.70 | J/mol×K | 638.48 | Joback Calculated Property |
| Cp,gas | 429.13 | J/mol×K | 669.27 | Joback Calculated Property |
| Cp,gas | 440.01 | J/mol×K | 700.07 | Joback Calculated Property |
| Cp,gas | 450.34 | J/mol×K | 730.87 | Joback Calculated Property |
| η | [0.0001859; 0.0026747] | Pa×s | [299.46; 546.08] |
|
| η | 0.0026747 | Pa×s | 299.46 | Joback Calculated Property |
| η | 0.0013117 | Pa×s | 340.56 | Joback Calculated Property |
| η | 0.0007500 | Pa×s | 381.67 | Joback Calculated Property |
| η | 0.0004780 | Pa×s | 422.77 | Joback Calculated Property |
| η | 0.0003300 | Pa×s | 463.87 | Joback Calculated Property |
| η | 0.0002420 | Pa×s | 504.98 | Joback Calculated Property |
| η | 0.0001859 | Pa×s | 546.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro, (E)-3-hexenyl ester.
Sources
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