- InChI
- InChI=1S/C17H26O2/c1-2-3-4-10-15-19-17(18)14-9-8-13-16-11-6-5-7-12-16/h5-7,11-12H,2-4,8-10,13-15H2,1H3
- InChI Key
- MDGSXKNIPGHYHH-UHFFFAOYSA-N
- Formula
- C17H26O2
- SMILES
- CCCCCCOC(=O)CCCCc1ccccc1
- Molecular Weight1
- 262.39
- 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 | 0.7903 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.523 | Crippen Calculated Property | |
| McVol | 234.070 | ml/mol | McGowan Calculated Property |
| Pc | 1582.23 | kPa | Joback Calculated Property |
| Inp | [1989.00; 1989.00] |
|
|
| Inp | 1989.00 | NIST | |
| Inp | 1989.00 | NIST | |
| Tboil | 602.95 | K | Relay (1.0) Calculated Property |
| Tc | 793.16 | K | Relay (1.0) Calculated Property |
| Tfus | 250.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.885 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.93; 739.97] | J/mol×K | [673.46; 864.72] |
|
| Cp,gas | 647.93 | J/mol×K | 673.46 | Joback Calculated Property |
| Cp,gas | 665.71 | J/mol×K | 705.34 | Joback Calculated Property |
| Cp,gas | 682.47 | J/mol×K | 737.21 | Joback Calculated Property |
| Cp,gas | 698.25 | J/mol×K | 769.09 | Joback Calculated Property |
| Cp,gas | 713.07 | J/mol×K | 800.97 | Joback Calculated Property |
| Cp,gas | 726.97 | J/mol×K | 832.84 | Joback Calculated Property |
| Cp,gas | 739.97 | J/mol×K | 864.72 | Joback Calculated Property |
| η | [0.0000971; 0.0023848] | Pa×s | [350.10; 673.46] |
|
| η | 0.0023848 | Pa×s | 350.10 | Joback Calculated Property |
| η | 0.0009799 | Pa×s | 403.99 | Joback Calculated Property |
| η | 0.0004964 | Pa×s | 457.89 | Joback Calculated Property |
| η | 0.0002902 | Pa×s | 511.78 | Joback Calculated Property |
| η | 0.0001879 | Pa×s | 565.67 | Joback Calculated Property |
| η | 0.0001312 | Pa×s | 619.57 | Joback Calculated Property |
| η | 0.0000971 | Pa×s | 673.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, hexyl ester.
Sources
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