- InChI
- InChI=1S/C10H17ClO2/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5,9H,3,6-8H2,1-2H3/b5-4-
- InChI Key
- TZCFURZQKLRBPP-PLNGDYQASA-N
- Formula
- C10H17ClO2
- SMILES
- CCC=CCCOC(=O)CC(C)Cl
- 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° | -134.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 2.903 | Crippen Calculated Property | |
| McVol | 167.140 | ml/mol | McGowan Calculated Property |
| Pc | 2248.26 | kPa | Joback Calculated Property |
| Inp | [1311.00; 1336.00] |
|
|
| Inp | 1321.00 | NIST | |
| Inp | 1311.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1321.00 | NIST | |
| I | [1824.00; 1855.00] |
|
|
| I | 1824.00 | NIST | |
| I | 1827.00 | NIST | |
| I | 1855.00 | NIST | |
| Tboil | 545.64 | K | Joback Calculated Property |
| Tc | 734.12 | K | Joback Calculated Property |
| Tfus | 284.46 | K | Joback Calculated Property |
| Vc | 0.642 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.20; 452.15] | J/mol×K | [545.64; 734.12] |
|
| Cp,gas | 380.20 | J/mol×K | 545.64 | Joback Calculated Property |
| Cp,gas | 393.74 | J/mol×K | 577.05 | Joback Calculated Property |
| Cp,gas | 406.63 | J/mol×K | 608.47 | Joback Calculated Property |
| Cp,gas | 418.89 | J/mol×K | 639.88 | Joback Calculated Property |
| Cp,gas | 430.56 | J/mol×K | 671.29 | Joback Calculated Property |
| Cp,gas | 441.63 | J/mol×K | 702.71 | Joback Calculated Property |
| Cp,gas | 452.15 | J/mol×K | 734.12 | Joback Calculated Property |
| η | [0.0001748; 0.0036477] | Pa×s | [284.46; 545.64] |
|
| η | 0.0036477 | Pa×s | 284.46 | Joback Calculated Property |
| η | 0.0015709 | Pa×s | 327.99 | Joback Calculated Property |
| η | 0.0008241 | Pa×s | 371.52 | Joback Calculated Property |
| η | 0.0004950 | Pa×s | 415.05 | Joback Calculated Property |
| η | 0.0003275 | Pa×s | 458.58 | Joback Calculated Property |
| η | 0.0002328 | Pa×s | 502.11 | Joback Calculated Property |
| η | 0.0001748 | Pa×s | 545.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro, (Z)-3-hexenyl ester.
Sources
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