- InChI
- InChI=1S/C16H24O2/c1-4-5-6-14-7-9-15(10-8-14)16(17)18-12-11-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3
- InChI Key
- XFLZSMLNZLATFX-UHFFFAOYSA-N
- Formula
- C16H24O2
- SMILES
- CCCCc1ccc(C(=O)OCCC(C)C)cc1
- Molecular Weight1
- 248.36
- 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° | -49.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.92 | kJ/mol | Joback Calculated Property |
| log10WS | -4.79 | Crippen Calculated Property | |
| logPoct/wat | 4.232 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 1759.49 | kPa | Joback Calculated Property |
| Inp | [1919.00; 1919.00] |
|
|
| Inp | 1919.00 | NIST | |
| Inp | 1919.00 | NIST | |
| Tboil | 672.99 | K | Joback Calculated Property |
| Tc | 872.43 | K | Joback Calculated Property |
| Tfus | 366.18 | K | Joback Calculated Property |
| Vc | 0.842 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.19; 690.07] | J/mol×K | [672.99; 872.43] |
|
| Cp,gas | 600.19 | J/mol×K | 672.99 | Joback Calculated Property |
| Cp,gas | 617.51 | J/mol×K | 706.23 | Joback Calculated Property |
| Cp,gas | 633.87 | J/mol×K | 739.47 | Joback Calculated Property |
| Cp,gas | 649.27 | J/mol×K | 772.71 | Joback Calculated Property |
| Cp,gas | 663.76 | J/mol×K | 805.95 | Joback Calculated Property |
| Cp,gas | 677.35 | J/mol×K | 839.19 | Joback Calculated Property |
| Cp,gas | 690.07 | J/mol×K | 872.43 | Joback Calculated Property |
| η | [0.0001122; 0.0017472] | Pa×s | [366.18; 672.99] |
|
| η | 0.0017472 | Pa×s | 366.18 | Joback Calculated Property |
| η | 0.0008353 | Pa×s | 417.31 | Joback Calculated Property |
| η | 0.0004692 | Pa×s | 468.45 | Joback Calculated Property |
| η | 0.0002952 | Pa×s | 519.59 | Joback Calculated Property |
| η | 0.0002018 | Pa×s | 570.72 | Joback Calculated Property |
| η | 0.0001469 | Pa×s | 621.86 | Joback Calculated Property |
| η | 0.0001122 | Pa×s | 672.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 3-methylbutyl ester.
Sources
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