- InChI
- InChI=1S/C17H26O2/c1-3-5-6-7-11-14-19-17(18)16(4-2)15-12-9-8-10-13-15/h8-10,12-13,16H,3-7,11,14H2,1-2H3
- InChI Key
- CPAVSVYEWNICIE-UHFFFAOYSA-N
- Formula
- C17H26O2
- SMILES
- CCCCCCCOC(=O)C(CC)c1ccccc1
- 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 | 0.7215 | Relay (1.0) Calculated Property | |
| ΔfG° | -31.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -466.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.694 | Crippen Calculated Property | |
| McVol | 234.070 | ml/mol | McGowan Calculated Property |
| Pc | 1645.76 | kPa | Joback Calculated Property |
| Inp | [1831.00; 1831.00] |
|
|
| Inp | 1831.00 | NIST | |
| Inp | 1831.00 | NIST | |
| Tboil | 581.55 | K | Relay (1.0) Calculated Property |
| Tc | 793.99 | K | Relay (1.0) Calculated Property |
| Tfus | 281.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.855 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.33; 747.47] | J/mol×K | [690.89; 887.37] |
|
| Cp,gas | 655.33 | J/mol×K | 690.89 | Joback Calculated Property |
| Cp,gas | 673.13 | J/mol×K | 723.64 | Joback Calculated Property |
| Cp,gas | 689.91 | J/mol×K | 756.38 | Joback Calculated Property |
| Cp,gas | 705.70 | J/mol×K | 789.13 | Joback Calculated Property |
| Cp,gas | 720.53 | J/mol×K | 821.87 | Joback Calculated Property |
| Cp,gas | 734.45 | J/mol×K | 854.62 | Joback Calculated Property |
| Cp,gas | 747.47 | J/mol×K | 887.37 | Joback Calculated Property |
| η | [0.0001003; 0.0020940] | Pa×s | [364.93; 690.89] |
|
| η | 0.0020940 | Pa×s | 364.93 | Joback Calculated Property |
| η | 0.0009088 | Pa×s | 419.26 | Joback Calculated Property |
| η | 0.0004777 | Pa×s | 473.58 | Joback Calculated Property |
| η | 0.0002866 | Pa×s | 527.91 | Joback Calculated Property |
| η | 0.0001892 | Pa×s | 582.24 | Joback Calculated Property |
| η | 0.0001340 | Pa×s | 636.56 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 690.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, heptyl ester.
Sources
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