- InChI
- InChI=1S/C10H9ClO2/c1-2-6-13-10(12)8-4-3-5-9(11)7-8/h2-5,7H,1,6H2
- InChI Key
- GGYGSYXSTMFGRY-UHFFFAOYSA-N
- Formula
- C10H9ClO2
- SMILES
- C=CCOC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 196.63
- 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° | -21.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -159.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.66 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 2.683 | Crippen Calculated Property | |
| McVol | 143.380 | ml/mol | McGowan Calculated Property |
| Pc | 3049.04 | kPa | Joback Calculated Property |
| Inp | [1390.00; 1414.00] |
|
|
| Inp | 1396.00 | NIST | |
| Inp | 1404.00 | NIST | |
| Inp | Outlier 1414.00 | NIST | |
| Inp | 1402.00 | NIST | |
| Inp | 1390.00 | NIST | |
| Inp | 1400.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1402.00 | NIST | |
| I | [2001.00; 2039.00] |
|
|
| I | 2001.00 | NIST | |
| I | 2020.00 | NIST | |
| I | 2039.00 | NIST | |
| I | 2034.00 | NIST | |
| I | 2004.00 | NIST | |
| I | 2012.00 | NIST | |
| I | 2034.00 | NIST | |
| I | 2001.00 | NIST | |
| Tboil | 570.26 | K | Joback Calculated Property |
| Tc | 793.10 | K | Joback Calculated Property |
| Tfus | 341.72 | K | Joback Calculated Property |
| Vc | 0.541 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.15; 365.93] | J/mol×K | [570.26; 793.10] |
|
| Cp,gas | 306.15 | J/mol×K | 570.26 | Joback Calculated Property |
| Cp,gas | 317.89 | J/mol×K | 607.40 | Joback Calculated Property |
| Cp,gas | 328.89 | J/mol×K | 644.54 | Joback Calculated Property |
| Cp,gas | 339.18 | J/mol×K | 681.68 | Joback Calculated Property |
| Cp,gas | 348.76 | J/mol×K | 718.82 | Joback Calculated Property |
| Cp,gas | 357.67 | J/mol×K | 755.96 | Joback Calculated Property |
| Cp,gas | 365.93 | J/mol×K | 793.10 | Joback Calculated Property |
| η | [0.0002164; 0.0016051] | Pa×s | [341.72; 570.26] |
|
| η | 0.0016051 | Pa×s | 341.72 | Joback Calculated Property |
| η | 0.0009722 | Pa×s | 379.81 | Joback Calculated Property |
| η | 0.0006452 | Pa×s | 417.90 | Joback Calculated Property |
| η | 0.0004585 | Pa×s | 455.99 | Joback Calculated Property |
| η | 0.0003435 | Pa×s | 494.08 | Joback Calculated Property |
| η | 0.0002682 | Pa×s | 532.17 | Joback Calculated Property |
| η | 0.0002164 | Pa×s | 570.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-chloro, 2-propenyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.