- 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
- CCCC/C=C/C(C)OC(=O)CCCc1ccccc1
- Molecular Weight1
- 274.40
- 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 | 0.6738 | Relay (1.0) Calculated Property | |
| ΔfG° | -19.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.687 | Crippen Calculated Property | |
| McVol | 243.860 | ml/mol | McGowan Calculated Property |
| Pc | 1537.87 | kPa | Joback Calculated Property |
| Inp | [1985.00; 1985.00] |
|
|
| Inp | 1985.00 | NIST | |
| Inp | 1985.00 | NIST | |
| Tboil | 576.89 | K | Relay (1.0) Calculated Property |
| Tc | 786.07 | K | Relay (1.0) Calculated Property |
| Tfus | 263.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.884 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [681.59; 773.40] | J/mol×K | [700.06; 899.05] |
|
| Cp,gas | 681.59 | J/mol×K | 700.06 | Joback Calculated Property |
| Cp,gas | 699.48 | J/mol×K | 733.23 | Joback Calculated Property |
| Cp,gas | 716.27 | J/mol×K | 766.39 | Joback Calculated Property |
| Cp,gas | 732.00 | J/mol×K | 799.56 | Joback Calculated Property |
| Cp,gas | 746.74 | J/mol×K | 832.72 | Joback Calculated Property |
| Cp,gas | 760.52 | J/mol×K | 865.89 | Joback Calculated Property |
| Cp,gas | 773.40 | J/mol×K | 899.05 | Joback Calculated Property |
| η | [0.0000683; 0.0026754] | Pa×s | [341.29; 700.06] |
|
| η | 0.0026754 | Pa×s | 341.29 | Joback Calculated Property |
| η | 0.0009205 | Pa×s | 401.09 | Joback Calculated Property |
| η | 0.0004177 | Pa×s | 460.88 | Joback Calculated Property |
| η | 0.0002273 | Pa×s | 520.67 | Joback Calculated Property |
| η | 0.0001402 | Pa×s | 580.47 | Joback Calculated Property |
| η | 0.0000946 | Pa×s | 640.26 | Joback Calculated Property |
| η | 0.0000683 | Pa×s | 700.06 | 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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