- InChI
- InChI=1S/C12H14O3/c1-15-12(14)9-5-8-11(13)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
- InChI Key
- GRIWFUFDJOESIC-UHFFFAOYSA-N
- Formula
- C12H14O3
- SMILES
- COC(=O)CCCC(=O)c1ccccc1
- Molecular Weight1
- 206.24
- CAS
- 1501-04-8
- Other Names
-
- Benzenepentanoic acid, «delta»-oxo-, 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).
- 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° | -200.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.48 | kJ/mol | Joback Calculated Property |
| log10WS | -2.67 | Crippen Calculated Property | |
| logPoct/wat | 2.213 | Crippen Calculated Property | |
| McVol | 165.190 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Tboil | 630.80 | K | Joback Calculated Property |
| Tc | 844.08 | K | Joback Calculated Property |
| Tfus | 373.51 | K | Joback Calculated Property |
| Vc | 0.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.34; 482.56] | J/mol×K | [630.80; 844.08] | 
|
| Cp,gas | 412.34 | J/mol×K | 630.80 | Joback Calculated Property |
| Cp,gas | 426.14 | J/mol×K | 666.35 | Joback Calculated Property |
| Cp,gas | 439.07 | J/mol×K | 701.89 | Joback Calculated Property |
| Cp,gas | 451.15 | J/mol×K | 737.44 | Joback Calculated Property |
| Cp,gas | 462.42 | J/mol×K | 772.99 | Joback Calculated Property |
| Cp,gas | 472.88 | J/mol×K | 808.53 | Joback Calculated Property |
| Cp,gas | 482.56 | J/mol×K | 844.08 | Joback Calculated Property |
| η | [0.0001911; 0.0018695] | Pa×s | [373.51; 630.80] |
|
| η | 0.0018695 | Pa×s | 373.51 | Joback Calculated Property |
| η | 0.0010512 | Pa×s | 416.39 | Joback Calculated Property |
| η | 0.0006581 | Pa×s | 459.27 | Joback Calculated Property |
| η | 0.0004464 | Pa×s | 502.15 | Joback Calculated Property |
| η | 0.0003218 | Pa×s | 545.04 | Joback Calculated Property |
| η | 0.0002433 | Pa×s | 587.92 | Joback Calculated Property |
| η | 0.0001911 | Pa×s | 630.80 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 427.00 ± 1.00 | K | 0.70 | NIST |
Similar Compounds
Find more compounds similar to Methyl 4-benzoylbutyrate.
Sources
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