- InChI
- InChI=1S/C16H22O2/c1-3-4-5-7-10-14(2)18-16(17)13-15-11-8-6-9-12-15/h6-12,14H,3-5,13H2,1-2H3/b10-7+
- InChI Key
- SHXMLJPUXCFKKS-JXMROGBWSA-N
- Formula
- C16H22O2
- SMILES
- CCCCC=CC(C)OC(=O)Cc1ccccc1
- Molecular Weight1
- 246.34
- 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° | 40.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.21 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 3.907 | Crippen Calculated Property | |
| McVol | 215.680 | ml/mol | McGowan Calculated Property |
| Pc | 1862.72 | kPa | Joback Calculated Property |
| Inp | 1738.10 | NIST | |
| Tboil | 672.17 | K | Joback Calculated Property |
| Tc | 878.02 | K | Joback Calculated Property |
| Tfus | 348.58 | K | Joback Calculated Property |
| Vc | 0.822 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.50; 666.08] | J/mol×K | [672.17; 878.02] | 
|
| Cp,gas | 578.50 | J/mol×K | 672.17 | Joback Calculated Property |
| Cp,gas | 595.52 | J/mol×K | 706.48 | Joback Calculated Property |
| Cp,gas | 611.51 | J/mol×K | 740.79 | Joback Calculated Property |
| Cp,gas | 626.51 | J/mol×K | 775.10 | Joback Calculated Property |
| Cp,gas | 640.58 | J/mol×K | 809.41 | Joback Calculated Property |
| Cp,gas | 653.76 | J/mol×K | 843.71 | Joback Calculated Property |
| Cp,gas | 666.08 | J/mol×K | 878.02 | Joback Calculated Property |
| η | [0.0000972; 0.0021230] | Pa×s | [348.58; 672.17] |
|
| η | 0.0021230 | Pa×s | 348.58 | Joback Calculated Property |
| η | 0.0008999 | Pa×s | 402.51 | Joback Calculated Property |
| η | 0.0004673 | Pa×s | 456.44 | Joback Calculated Property |
| η | 0.0002787 | Pa×s | 510.38 | Joback Calculated Property |
| η | 0.0001834 | Pa×s | 564.31 | Joback Calculated Property |
| η | 0.0001299 | Pa×s | 618.24 | Joback Calculated Property |
| η | 0.0000972 | Pa×s | 672.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetic acid, oct-3-en-2-yl ester.
Sources
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