- InChI
- InChI=1S/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
- InChI Key
- YRYZGVBKMWFWGT-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- COC(=O)CCCc1ccccc1
- Molecular Weight1
- 178.23
- CAS
- 2046-17-5
- Other Names
-
- Butyric acid, 4-phenyl-, methyl ester
- Methyl 4-phenylbutanoate
- Methyl 4-phenylbutyrate
- Methyl ester of benzenebutanoic acid
- 4-Phenylbutanoic acid methyl 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -79.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.51 | kJ/mol | Joback Calculated Property |
| IE | 8.60 ± 0.30 | eV | NIST |
| log10WS | -2.39 | Crippen Calculated Property | |
| logPoct/wat | 2.182 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2778.85 | kPa | Joback Calculated Property |
| Tboil | 554.05 | K | Joback Calculated Property |
| Tc | 763.32 | K | Joback Calculated Property |
| Tfus | 312.31 | K | Joback Calculated Property |
| Vc | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.39; 421.37] | J/mol×K | [554.05; 763.32] | 
|
| Cp,gas | 346.39 | J/mol×K | 554.05 | Joback Calculated Property |
| Cp,gas | 360.84 | J/mol×K | 588.93 | Joback Calculated Property |
| Cp,gas | 374.48 | J/mol×K | 623.81 | Joback Calculated Property |
| Cp,gas | 387.33 | J/mol×K | 658.68 | Joback Calculated Property |
| Cp,gas | 399.42 | J/mol×K | 693.56 | Joback Calculated Property |
| Cp,gas | 410.76 | J/mol×K | 728.44 | Joback Calculated Property |
| Cp,gas | 421.37 | J/mol×K | 763.32 | Joback Calculated Property |
| η | [0.0002006; 0.0023060] | Pa×s | [312.31; 554.05] |
|
| η | 0.0023060 | Pa×s | 312.31 | Joback Calculated Property |
| η | 0.0012165 | Pa×s | 352.60 | Joback Calculated Property |
| η | 0.0007317 | Pa×s | 392.89 | Joback Calculated Property |
| η | 0.0004838 | Pa×s | 433.18 | Joback Calculated Property |
| η | 0.0003432 | Pa×s | 473.47 | Joback Calculated Property |
| η | 0.0002569 | Pa×s | 513.76 | Joback Calculated Property |
| η | 0.0002006 | Pa×s | 554.05 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 405.00 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Benzenebutanoic acid, methyl ester.
Sources
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