- InChI
- InChI=1S/C17H26O2/c1-2-3-4-5-9-15-19-17(18)14-10-13-16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3
- InChI Key
- GZGITFJBUSHFNQ-UHFFFAOYSA-N
- Formula
- C17H26O2
- SMILES
- CCCCCCCOC(=O)CCCc1ccccc1
- 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 | 0.7893 | Relay (1.0) Calculated Property | |
| ΔfG° | -29.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | 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 | 1635.13 | kPa | Joback Calculated Property |
| Inp | [1986.00; 1986.00] |
|
|
| Inp | 1986.00 | NIST | |
| Inp | 1986.00 | NIST | |
| Tboil | 601.77 | K | Relay (1.0) Calculated Property |
| Tc | 792.11 | K | Relay (1.0) Calculated Property |
| Tfus | 260.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.883 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.86; 745.76] | J/mol×K | [691.33; 884.75] |
|
| Cp,gas | 654.86 | J/mol×K | 691.33 | Joback Calculated Property |
| Cp,gas | 672.36 | J/mol×K | 723.57 | Joback Calculated Property |
| Cp,gas | 688.87 | J/mol×K | 755.80 | Joback Calculated Property |
| Cp,gas | 704.44 | J/mol×K | 788.04 | Joback Calculated Property |
| Cp,gas | 719.09 | J/mol×K | 820.27 | Joback Calculated Property |
| Cp,gas | 732.85 | J/mol×K | 852.51 | Joback Calculated Property |
| Cp,gas | 745.76 | J/mol×K | 884.75 | Joback Calculated Property |
| η | [0.0001083; 0.0016807] | Pa×s | [379.93; 691.33] |
|
| η | 0.0016807 | Pa×s | 379.93 | Joback Calculated Property |
| η | 0.0008086 | Pa×s | 431.83 | Joback Calculated Property |
| η | 0.0004552 | Pa×s | 483.73 | Joback Calculated Property |
| η | 0.0002864 | Pa×s | 535.63 | Joback Calculated Property |
| η | 0.0001956 | Pa×s | 587.53 | Joback Calculated Property |
| η | 0.0001421 | Pa×s | 639.43 | Joback Calculated Property |
| η | 0.0001083 | Pa×s | 691.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-phenyl-, heptyl ester.
Sources
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