- InChI
- InChI=1S/C7H11ClO2/c1-2-6-10-7(9)4-3-5-8/h2H,1,3-6H2
- InChI Key
- NSCJTNOFIYBWFN-UHFFFAOYSA-N
- Formula
- C7H11ClO2
- SMILES
- C=CCOC(=O)CCCCl
- Molecular Weight1
- 162.61
- 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° | -149.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.05 | kJ/mol | Joback Calculated Property |
| log10WS | -1.62 | Crippen Calculated Property | |
| logPoct/wat | 1.735 | Crippen Calculated Property | |
| McVol | 124.870 | ml/mol | McGowan Calculated Property |
| Pc | 2956.90 | kPa | Joback Calculated Property |
| Inp | [1077.00; 1105.00] |
|
|
| Inp | 1097.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1105.00 | NIST | |
| I | [1671.00; 1692.00] |
|
|
| I | 1671.00 | NIST | |
| I | 1692.00 | NIST | |
| Tboil | 469.96 | K | Joback Calculated Property |
| Tc | 656.31 | K | Joback Calculated Property |
| Tfus | 268.97 | K | Joback Calculated Property |
| Vc | 0.481 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.36; 302.94] | J/mol×K | [469.96; 656.31] |
|
| Cp,gas | 248.36 | J/mol×K | 469.96 | Joback Calculated Property |
| Cp,gas | 258.49 | J/mol×K | 501.02 | Joback Calculated Property |
| Cp,gas | 268.20 | J/mol×K | 532.08 | Joback Calculated Property |
| Cp,gas | 277.49 | J/mol×K | 563.14 | Joback Calculated Property |
| Cp,gas | 286.38 | J/mol×K | 594.19 | Joback Calculated Property |
| Cp,gas | 294.86 | J/mol×K | 625.25 | Joback Calculated Property |
| Cp,gas | 302.94 | J/mol×K | 656.31 | Joback Calculated Property |
| η | [0.0002844; 0.0028258] | Pa×s | [268.97; 469.96] |
|
| η | 0.0028258 | Pa×s | 268.97 | Joback Calculated Property |
| η | 0.0015592 | Pa×s | 302.47 | Joback Calculated Property |
| η | 0.0009687 | Pa×s | 335.97 | Joback Calculated Property |
| η | 0.0006561 | Pa×s | 369.47 | Joback Calculated Property |
| η | 0.0004741 | Pa×s | 402.96 | Joback Calculated Property |
| η | 0.0003601 | Pa×s | 436.46 | Joback Calculated Property |
| η | 0.0002844 | Pa×s | 469.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro, 2-propenyl ester.
Sources
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