- InChI
- InChI=1S/C16H15ClO2/c1-2-15(12-6-4-3-5-7-12)16(18)19-14-10-8-13(17)9-11-14/h3-11,15H,2H2,1H3
- InChI Key
- LYNMZXASBCHWCJ-UHFFFAOYSA-N
- Formula
- C16H15ClO2
- SMILES
-
CCC(C(=O)Oc1ccc(Cl)cc1)c1ccccc
1 - Molecular Weight1
- 274.74
- 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.
- 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° | 50.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.58 | kJ/mol | Joback Calculated Property |
| log10WS | -4.89 | Crippen Calculated Property | |
| logPoct/wat | 4.439 | Crippen Calculated Property | |
| McVol | 208.460 | ml/mol | McGowan Calculated Property |
| Pc | 2289.32 | kPa | Joback Calculated Property |
| Inp | [2029.00; 2029.00] |
|
|
| Inp | 2029.00 | NIST | |
| Inp | 2029.00 | NIST | |
| Tboil | 737.10 | K | Joback Calculated Property |
| Tc | 977.90 | K | Joback Calculated Property |
| Tfus | 422.52 | K | Joback Calculated Property |
| Vc | 0.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.33; 616.32] | J/mol×K | [737.10; 977.90] |
|
| Cp,gas | 544.33 | J/mol×K | 737.10 | Joback Calculated Property |
| Cp,gas | 559.24 | J/mol×K | 777.23 | Joback Calculated Property |
| Cp,gas | 572.91 | J/mol×K | 817.37 | Joback Calculated Property |
| Cp,gas | 585.40 | J/mol×K | 857.50 | Joback Calculated Property |
| Cp,gas | 596.76 | J/mol×K | 897.64 | Joback Calculated Property |
| Cp,gas | 607.05 | J/mol×K | 937.77 | Joback Calculated Property |
| Cp,gas | 616.32 | J/mol×K | 977.90 | Joback Calculated Property |
| η | [0.0001031; 0.0011764] | Pa×s | [422.52; 737.10] |
|
| η | 0.0011764 | Pa×s | 422.52 | Joback Calculated Property |
| η | 0.0006268 | Pa×s | 474.95 | Joback Calculated Property |
| η | 0.0003785 | Pa×s | 527.38 | Joback Calculated Property |
| η | 0.0002504 | Pa×s | 579.81 | Joback Calculated Property |
| η | 0.0001774 | Pa×s | 632.24 | Joback Calculated Property |
| η | 0.0001325 | Pa×s | 684.67 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 737.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 4-chlorophenyl ester.
Sources
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