- InChI
- InChI=1S/C17H26O2/c1-4-6-8-11-14(3)19-17(18)16(5-2)15-12-9-7-10-13-15/h7,9-10,12-14,16H,4-6,8,11H2,1-3H3
- InChI Key
- HXWXGZBJIIXDSZ-UHFFFAOYSA-N
- Formula
- C17H26O2
- SMILES
- CCCCCC(C)OC(=O)C(CC)c1ccccc1
- Molecular Weight1
- 262.39
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -34.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.98 | Crippen Calculated Property | |
| logPoct/wat | 4.692 | Crippen Calculated Property | |
| McVol | 234.070 | ml/mol | McGowan Calculated Property |
| Pc | 1656.49 | kPa | Joback Calculated Property |
| Inp | [1716.00; 1716.00] |
|
|
| Inp | 1716.00 | NIST | |
| Inp | 1716.00 | NIST | |
| Tboil | 690.45 | K | Joback Calculated Property |
| Tc | 890.12 | K | Joback Calculated Property |
| Tfus | 349.93 | K | Joback Calculated Property |
| Vc | 0.891 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.80; 749.23] | J/mol×K | [690.45; 890.12] |
|
| Cp,gas | 655.80 | J/mol×K | 690.45 | Joback Calculated Property |
| Cp,gas | 673.91 | J/mol×K | 723.73 | Joback Calculated Property |
| Cp,gas | 690.97 | J/mol×K | 757.01 | Joback Calculated Property |
| Cp,gas | 706.99 | J/mol×K | 790.29 | Joback Calculated Property |
| Cp,gas | 722.02 | J/mol×K | 823.57 | Joback Calculated Property |
| Cp,gas | 736.09 | J/mol×K | 856.85 | Joback Calculated Property |
| Cp,gas | 749.23 | J/mol×K | 890.12 | Joback Calculated Property |
| η | [0.0000928; 0.0026892] | Pa×s | [349.93; 690.45] |
|
| η | 0.0026892 | Pa×s | 349.93 | Joback Calculated Property |
| η | 0.0010374 | Pa×s | 406.68 | Joback Calculated Property |
| η | 0.0005053 | Pa×s | 463.44 | Joback Calculated Property |
| η | 0.0002880 | Pa×s | 520.19 | Joback Calculated Property |
| η | 0.0001833 | Pa×s | 576.94 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 633.70 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 690.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, hept-2-yl ester.
Sources
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