- InChI
- InChI=1S/C13H15ClO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10H2,1H3/b4-3-
- InChI Key
- QKLADRCZQCRRDB-ARJAWSKDSA-N
- Formula
- C13H15ClO2
- SMILES
- CCC=CCCOC(=O)c1ccccc1Cl
- Molecular Weight1
- 238.71
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5652 | Relay (... Calculated Property | |
| ΔfG° | -4.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.11 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.23 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -4.53 | Relay (... Calculated Property | |
| logPoct/wat | 3.853 | Crippen Calculated Property | |
| McVol | 185.650 | ml/mol | McGowan Calculated Property |
| Pc | 2291.52 | kPa | Joback Calculated Property |
| Inp | [1700.00; 1727.00] |
|
|
| Inp | 1700.00 | NIST | |
| Inp | 1712.00 | NIST | |
| Inp | 1720.00 | NIST | |
| Inp | 1727.00 | NIST | |
| Inp | 1707.00 | NIST | |
| Inp | 1719.00 | NIST | |
| I | [2360.00; 2430.00] |
|
|
| I | 2360.00 | NIST | |
| I | 2382.00 | NIST | |
| I | 2404.00 | NIST | |
| I | 2430.00 | NIST | |
| I | 2396.00 | NIST | |
| I | 2411.00 | NIST | |
| Tboil | 569.30 | K | Relay (... Calculated Property |
| Tc | 779.12 | K | Relay (... Calculated Property |
| Tfus | 241.93 | K | Relay (... Calculated Property |
| Vc | 0.659 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.70; 521.47] | J/mol×K | [646.38; 862.28] |
|
| Cp,gas | 449.70 | J/mol×K | 646.38 | Joback Calculated Property |
| Cp,gas | 463.75 | J/mol×K | 682.36 | Joback Calculated Property |
| Cp,gas | 476.91 | J/mol×K | 718.35 | Joback Calculated Property |
| Cp,gas | 489.23 | J/mol×K | 754.33 | Joback Calculated Property |
| Cp,gas | 500.74 | J/mol×K | 790.31 | Joback Calculated Property |
| Cp,gas | 511.47 | J/mol×K | 826.29 | Joback Calculated Property |
| Cp,gas | 521.47 | J/mol×K | 862.28 | Joback Calculated Property |
| η | [0.0001342; 0.0013603] | Pa×s | [372.21; 646.38] |
|
| η | 0.0013603 | Pa×s | 372.21 | Joback Calculated Property |
| η | 0.0007487 | Pa×s | 417.91 | Joback Calculated Property |
| η | 0.0004636 | Pa×s | 463.60 | Joback Calculated Property |
| η | 0.0003128 | Pa×s | 509.30 | Joback Calculated Property |
| η | 0.0002252 | Pa×s | 554.99 | Joback Calculated Property |
| η | 0.0001705 | Pa×s | 600.68 | Joback Calculated Property |
| η | 0.0001342 | Pa×s | 646.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-chloro, (Z)-3-hexenyl ester.
Sources
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