- InChI
- InChI=1S/C13H18O2/c1-3-5-6-11-7-9-12(10-8-11)13(14)15-4-2/h7-10H,3-6H2,1-2H3
- InChI Key
- NKAVJELRFJVPEE-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- CCCCc1ccc(C(=O)OCC)cc1
- Molecular Weight1
- 206.28
- CAS
- 85100-62-5
- 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° | -72.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -331.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.63 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.206 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2258.96 | kPa | Joback Calculated Property |
| Inp | [1623.70; 1623.70] |
|
|
| Inp | 1623.70 | NIST | |
| Inp | 1623.70 | NIST | |
| Tboil | 604.79 | K | Joback Calculated Property |
| Tc | 808.65 | K | Joback Calculated Property |
| Tfus | 347.37 | K | Joback Calculated Property |
| Vc | 0.679 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.04; 524.25] | J/mol×K | [604.79; 808.65] |
|
| Cp,gas | 443.04 | J/mol×K | 604.79 | Joback Calculated Property |
| Cp,gas | 458.61 | J/mol×K | 638.77 | Joback Calculated Property |
| Cp,gas | 473.35 | J/mol×K | 672.74 | Joback Calculated Property |
| Cp,gas | 487.26 | J/mol×K | 706.72 | Joback Calculated Property |
| Cp,gas | 500.37 | J/mol×K | 740.70 | Joback Calculated Property |
| Cp,gas | 512.69 | J/mol×K | 774.67 | Joback Calculated Property |
| Cp,gas | 524.25 | J/mol×K | 808.65 | Joback Calculated Property |
| η | [0.0001649; 0.0016609] | Pa×s | [347.37; 604.79] |
|
| η | 0.0016609 | Pa×s | 347.37 | Joback Calculated Property |
| η | 0.0009147 | Pa×s | 390.27 | Joback Calculated Property |
| η | 0.0005669 | Pa×s | 433.18 | Joback Calculated Property |
| η | 0.0003830 | Pa×s | 476.08 | Joback Calculated Property |
| η | 0.0002761 | Pa×s | 518.98 | Joback Calculated Property |
| η | 0.0002092 | Pa×s | 561.89 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 604.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, ethyl ester.
Sources
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