- InChI
- InChI=1S/C16H24O2/c1-5-15(14-9-7-6-8-10-14)16(17)18-13(4)11-12(2)3/h6-10,12-13,15H,5,11H2,1-4H3
- InChI Key
- OMNGYYASSMTEQW-UHFFFAOYSA-N
- Formula
- C16H24O2
- SMILES
- CCC(C(=O)OC(C)CC(C)C)c1ccccc1
- Molecular Weight1
- 248.36
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5857 | Relay (1.0) Calculated Property | |
| ΔfG° | -44.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.158 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 1806.16 | kPa | Joback Calculated Property |
| Inp | [1587.00; 1587.00] |
|
|
| Inp | 1587.00 | NIST | |
| Inp | 1587.00 | NIST | |
| Tboil | 547.49 | K | Relay (1.0) Calculated Property |
| Tc | 765.68 | K | Relay (1.0) Calculated Property |
| Tfus | 275.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.788 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.36; 694.73] | J/mol×K | [667.13; 872.79] |
|
| Cp,gas | 601.36 | J/mol×K | 667.13 | Joback Calculated Property |
| Cp,gas | 619.54 | J/mol×K | 701.41 | Joback Calculated Property |
| Cp,gas | 636.63 | J/mol×K | 735.68 | Joback Calculated Property |
| Cp,gas | 652.66 | J/mol×K | 769.96 | Joback Calculated Property |
| Cp,gas | 667.66 | J/mol×K | 804.24 | Joback Calculated Property |
| Cp,gas | 681.68 | J/mol×K | 838.51 | Joback Calculated Property |
| Cp,gas | 694.73 | J/mol×K | 872.79 | Joback Calculated Property |
| η | [0.0000972; 0.0039719] | Pa×s | [323.66; 667.13] |
|
| η | 0.0039719 | Pa×s | 323.66 | Joback Calculated Property |
| η | 0.0013449 | Pa×s | 380.91 | Joback Calculated Property |
| η | 0.0006044 | Pa×s | 438.15 | Joback Calculated Property |
| η | 0.0003267 | Pa×s | 495.39 | Joback Calculated Property |
| η | 0.0002006 | Pa×s | 552.64 | Joback Calculated Property |
| η | 0.0001350 | Pa×s | 609.88 | Joback Calculated Property |
| η | 0.0000972 | Pa×s | 667.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 4-methyl-2-pentyl ester.
Sources
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