- InChI
- InChI=1S/C11H11ClO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h2,4-7H,1,3,8H2
- InChI Key
- GSTHBFGBLMWSHY-UHFFFAOYSA-N
- Formula
- C11H11ClO2
- SMILES
- C=CCCOC(=O)c1ccccc1Cl
- Molecular Weight1
- 210.66
- 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° | -13.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 3.073 | Crippen Calculated Property | |
| McVol | 157.470 | ml/mol | McGowan Calculated Property |
| Pc | 2749.78 | kPa | Joback Calculated Property |
| Inp | [1491.00; 1513.00] |
|
|
| Inp | 1494.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1498.00 | NIST | |
| I | [2167.00; 2217.00] |
|
|
| I | 2167.00 | NIST | |
| I | 2186.00 | NIST | |
| I | 2209.00 | NIST | |
| I | 2217.00 | NIST | |
| I | 2183.00 | NIST | |
| I | 2196.00 | NIST | |
| I | 2167.00 | NIST | |
| Tboil | 593.14 | K | Joback Calculated Property |
| Tc | 811.98 | K | Joback Calculated Property |
| Tfus | 352.99 | K | Joback Calculated Property |
| Vc | 0.598 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.26; 416.61] | J/mol×K | [593.14; 811.98] |
|
| Cp,gas | 352.26 | J/mol×K | 593.14 | Joback Calculated Property |
| Cp,gas | 364.87 | J/mol×K | 629.61 | Joback Calculated Property |
| Cp,gas | 376.70 | J/mol×K | 666.09 | Joback Calculated Property |
| Cp,gas | 387.76 | J/mol×K | 702.56 | Joback Calculated Property |
| Cp,gas | 398.08 | J/mol×K | 739.03 | Joback Calculated Property |
| Cp,gas | 407.69 | J/mol×K | 775.50 | Joback Calculated Property |
| Cp,gas | 416.61 | J/mol×K | 811.98 | Joback Calculated Property |
| η | [0.0001984; 0.0015687] | Pa×s | [352.99; 593.14] |
|
| η | 0.0015687 | Pa×s | 352.99 | Joback Calculated Property |
| η | 0.0009325 | Pa×s | 393.01 | Joback Calculated Property |
| η | 0.0006103 | Pa×s | 433.04 | Joback Calculated Property |
| η | 0.0004291 | Pa×s | 473.06 | Joback Calculated Property |
| η | 0.0003187 | Pa×s | 513.09 | Joback Calculated Property |
| η | 0.0002472 | Pa×s | 553.12 | Joback Calculated Property |
| η | 0.0001984 | Pa×s | 593.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-chloro, 3-butenyl ester.
Sources
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