- InChI
- InChI=1S/C16H24O2/c1-2-3-4-8-14-18-16(17)13-9-12-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14H2,1H3
- InChI Key
- CPNQUHHVPGMQOC-UHFFFAOYSA-N
- Formula
- C16H24O2
- SMILES
- CCCCCCOC(=O)CCCc1ccccc1
- 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 | 0.7498 | Relay (1.0) Calculated Property | |
| ΔfG° | -114.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.133 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 1710.36 | kPa | Joback Calculated Property |
| Inp | [1882.00; 1882.00] |
|
|
| Inp | 1882.00 | NIST | |
| Inp | 1882.00 | NIST | |
| Tboil | 590.12 | K | Relay (1.0) Calculated Property |
| Tc | 784.43 | K | Relay (1.0) Calculated Property |
| Tfus | 250.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.829 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.38; 683.83] | J/mol×K | [650.58; 843.71] |
|
| Cp,gas | 593.38 | J/mol×K | 650.58 | Joback Calculated Property |
| Cp,gas | 610.85 | J/mol×K | 682.77 | Joback Calculated Property |
| Cp,gas | 627.32 | J/mol×K | 714.96 | Joback Calculated Property |
| Cp,gas | 642.83 | J/mol×K | 747.14 | Joback Calculated Property |
| Cp,gas | 657.39 | J/mol×K | 779.33 | Joback Calculated Property |
| Cp,gas | 671.05 | J/mol×K | 811.52 | Joback Calculated Property |
| Cp,gas | 683.83 | J/mol×K | 843.71 | Joback Calculated Property |
| η | [0.0001096; 0.0026040] | Pa×s | [338.83; 650.58] |
|
| η | 0.0026040 | Pa×s | 338.83 | Joback Calculated Property |
| η | 0.0010811 | Pa×s | 390.79 | Joback Calculated Property |
| η | 0.0005517 | Pa×s | 442.75 | Joback Calculated Property |
| η | 0.0003243 | Pa×s | 494.70 | Joback Calculated Property |
| η | 0.0002109 | Pa×s | 546.66 | Joback Calculated Property |
| η | 0.0001478 | Pa×s | 598.62 | Joback Calculated Property |
| η | 0.0001096 | Pa×s | 650.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-phenyl-, hexyl ester.
Sources
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