- InChI
- InChI=1S/C15H13ClO2/c16-14-8-4-7-13(11-14)15(17)18-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2
- InChI Key
- HVYMOPGTMRUTRG-UHFFFAOYSA-N
- Formula
- C15H13ClO2
- SMILES
- O=C(OCCc1ccccc1)c1cccc(Cl)c1
- Molecular Weight1
- 260.72
- Other Names
-
- Benzoic acid, 3-chloro, 2-phenylethyl ester
- 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° | 44.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -151.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.74 | kJ/mol | Joback Calculated Property |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 3.739 | Crippen Calculated Property | |
| McVol | 194.370 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Inp | [1945.00; 2024.00] |
|
|
| Inp | 1945.00 | NIST | |
| Inp | 1962.00 | NIST | |
| Inp | 1978.00 | NIST | |
| Inp | 1993.00 | NIST | |
| Inp | 2007.00 | NIST | |
| Inp | 2024.00 | NIST | |
| Inp | 1978.00 | NIST | |
| Inp | 1977.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Inp | 1945.00 | NIST | |
| Inp | 2024.00 | NIST | |
| Inp | 1977.00 | NIST | |
| I | [2841.00; 2905.00] |
|
|
| I | 2841.00 | NIST | |
| I | 2873.00 | NIST | |
| I | 2905.00 | NIST | |
| I | 2841.00 | NIST | |
| I | 2888.00 | NIST | |
| I | 2869.00 | NIST | |
| I | 2888.00 | NIST | |
| I | 2841.00 | NIST | |
| Tboil | 714.66 | K | Joback Calculated Property |
| Tc | 955.69 | K | Joback Calculated Property |
| Tfus | 426.25 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.15; 560.11] | J/mol×K | [714.66; 955.69] |
|
| Cp,gas | 491.15 | J/mol×K | 714.66 | Joback Calculated Property |
| Cp,gas | 505.40 | J/mol×K | 754.83 | Joback Calculated Property |
| Cp,gas | 518.48 | J/mol×K | 795.00 | Joback Calculated Property |
| Cp,gas | 530.44 | J/mol×K | 835.17 | Joback Calculated Property |
| Cp,gas | 541.33 | J/mol×K | 875.35 | Joback Calculated Property |
| Cp,gas | 551.20 | J/mol×K | 915.52 | Joback Calculated Property |
| Cp,gas | 560.11 | J/mol×K | 955.69 | Joback Calculated Property |
| η | [0.0001258; 0.0010871] | Pa×s | [426.25; 714.66] |
|
| η | 0.0010871 | Pa×s | 426.25 | Joback Calculated Property |
| η | 0.0006325 | Pa×s | 474.32 | Joback Calculated Property |
| η | 0.0004066 | Pa×s | 522.39 | Joback Calculated Property |
| η | 0.0002815 | Pa×s | 570.45 | Joback Calculated Property |
| η | 0.0002064 | Pa×s | 618.52 | Joback Calculated Property |
| η | 0.0001583 | Pa×s | 666.59 | Joback Calculated Property |
| η | 0.0001258 | Pa×s | 714.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenylethyl 3-chlorobenzoate.
Sources
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