- InChI
- InChI=1S/C18H26O2/c1-3-4-5-7-11-16(2)20-18(19)15-10-14-17-12-8-6-9-13-17/h6-9,11-13,16H,3-5,10,14-15H2,1-2H3/b11-7+
- InChI Key
- PRMJJYPTAPQRAC-YRNVUSSQSA-N
- Formula
- C18H26O2
- SMILES
- CCCCC=CC(C)OC(=O)CCCc1ccccc1
- Molecular Weight1
- 274.40
- 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° | 56.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.66 | kJ/mol | Joback Calculated Property |
| log10WS | -5.29 | Crippen Calculated Property | |
| logPoct/wat | 4.687 | Crippen Calculated Property | |
| McVol | 243.860 | ml/mol | McGowan Calculated Property |
| Pc | 1588.54 | kPa | Joback Calculated Property |
| Inp | [1985.00; 1985.00] |
|
|
| Inp | 1985.00 | NIST | |
| Inp | 1985.00 | NIST | |
| Tboil | 717.93 | K | Joback Calculated Property |
| Tc | 918.97 | K | Joback Calculated Property |
| Tfus | 371.12 | K | Joback Calculated Property |
| Vc | 0.933 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.28; 779.12] | J/mol×K | [717.93; 918.97] |
|
| Cp,gas | 688.28 | J/mol×K | 717.93 | Joback Calculated Property |
| Cp,gas | 705.89 | J/mol×K | 751.44 | Joback Calculated Property |
| Cp,gas | 722.44 | J/mol×K | 784.94 | Joback Calculated Property |
| Cp,gas | 737.99 | J/mol×K | 818.45 | Joback Calculated Property |
| Cp,gas | 752.59 | J/mol×K | 851.95 | Joback Calculated Property |
| Cp,gas | 766.29 | J/mol×K | 885.46 | Joback Calculated Property |
| Cp,gas | 779.12 | J/mol×K | 918.97 | Joback Calculated Property |
| η | [0.0000765; 0.0017879] | Pa×s | [371.12; 717.93] |
|
| η | 0.0017879 | Pa×s | 371.12 | Joback Calculated Property |
| η | 0.0007422 | Pa×s | 428.92 | Joback Calculated Property |
| η | 0.0003797 | Pa×s | 486.72 | Joback Calculated Property |
| η | 0.0002239 | Pa×s | 544.52 | Joback Calculated Property |
| η | 0.0001462 | Pa×s | 602.33 | Joback Calculated Property |
| η | 0.0001028 | Pa×s | 660.13 | Joback Calculated Property |
| η | 0.0000765 | Pa×s | 717.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-phenyl-, oct-3-en-2-yl ester.
Sources
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