- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5321 | Relay (1.0) Calculated Property | |
| ΔfG° | -156.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 ± 0.30 | eV | NIST |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.182 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Tboil | 520.36 | K | Relay (1.0) Calculated Property |
| Tc | 730.19 | K | Relay (1.0) Calculated Property |
| Tfus | 247.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.549 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.68; 418.22] | J/mol×K | [536.18; 742.88] | 
|
| Cp,gas | 341.68 | J/mol×K | 536.18 | Joback Calculated Property |
| Cp,gas | 356.50 | J/mol×K | 570.63 | Joback Calculated Property |
| Cp,gas | 370.47 | J/mol×K | 605.08 | Joback Calculated Property |
| Cp,gas | 383.60 | J/mol×K | 639.53 | Joback Calculated Property |
| Cp,gas | 395.93 | J/mol×K | 673.98 | Joback Calculated Property |
| Cp,gas | 407.46 | J/mol×K | 708.43 | Joback Calculated Property |
| Cp,gas | 418.22 | J/mol×K | 742.88 | Joback Calculated Property |
| η | [0.0001843; 0.0035695] | Pa×s | [282.48; 536.18] |
|
| η | 0.0035695 | Pa×s | 282.48 | Joback Calculated Property |
| η | 0.0015792 | Pa×s | 324.76 | Joback Calculated Property |
| η | 0.0008431 | Pa×s | 367.05 | Joback Calculated Property |
| η | 0.0005124 | Pa×s | 409.33 | Joback Calculated Property |
| η | 0.0003419 | Pa×s | 451.61 | Joback Calculated Property |
| η | 0.0002444 | Pa×s | 493.90 | Joback Calculated Property |
| η | 0.0001843 | Pa×s | 536.18 | 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.
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