- InChI
- InChI=1S/C18H28O2/c1-3-5-6-7-8-12-15-20-18(19)17(4-2)16-13-10-9-11-14-16/h9-11,13-14,17H,3-8,12,15H2,1-2H3
- InChI Key
- PXXZAMMSLSMIBM-UHFFFAOYSA-N
- Formula
- C18H28O2
- SMILES
- CCCCCCCCOC(=O)C(CC)c1ccccc1
- Molecular Weight1
- 276.41
- 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 | 0.7632 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.084 | Crippen Calculated Property | |
| McVol | 248.160 | ml/mol | McGowan Calculated Property |
| Pc | 1524.69 | kPa | Joback Calculated Property |
| Inp | [1933.00; 1933.00] |
|
|
| Inp | 1933.00 | NIST | |
| Inp | 1933.00 | NIST | |
| Tboil | 591.33 | K | Relay (1.0) Calculated Property |
| Tc | 803.91 | K | Relay (1.0) Calculated Property |
| Tfus | 286.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.911 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.39; 804.86] | J/mol×K | [713.77; 908.55] |
|
| Cp,gas | 711.39 | J/mol×K | 713.77 | Joback Calculated Property |
| Cp,gas | 729.45 | J/mol×K | 746.23 | Joback Calculated Property |
| Cp,gas | 746.47 | J/mol×K | 778.70 | Joback Calculated Property |
| Cp,gas | 762.49 | J/mol×K | 811.16 | Joback Calculated Property |
| Cp,gas | 777.54 | J/mol×K | 843.62 | Joback Calculated Property |
| Cp,gas | 791.65 | J/mol×K | 876.08 | Joback Calculated Property |
| Cp,gas | 804.86 | J/mol×K | 908.55 | Joback Calculated Property |
| η | [0.0000886; 0.0019145] | Pa×s | [376.20; 713.77] |
|
| η | 0.0019145 | Pa×s | 376.20 | Joback Calculated Property |
| η | 0.0008220 | Pa×s | 432.46 | Joback Calculated Property |
| η | 0.0004288 | Pa×s | 488.72 | Joback Calculated Property |
| η | 0.0002558 | Pa×s | 544.99 | Joback Calculated Property |
| η | 0.0001681 | Pa×s | 601.25 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 657.51 | Joback Calculated Property |
| η | 0.0000886 | Pa×s | 713.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, octyl ester.
Sources
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