- InChI
- InChI=1S/C16H22O2/c1-2-3-4-8-11-18-16(17)15-12-14(15)13-9-6-5-7-10-13/h5-7,9-10,14-15H,2-4,8,11-12H2,1H3
- InChI Key
- AITACQSZDPZEDG-UHFFFAOYSA-N
- Formula
- C16H22O2
- SMILES
- CCCCCCOC(=O)C1CC1c1ccccc1
- 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° | 15.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.25 | kJ/mol | Joback Calculated Property |
| log10WS | -4.10 | Crippen Calculated Property | |
| logPoct/wat | 3.914 | Crippen Calculated Property | |
| McVol | 209.120 | ml/mol | McGowan Calculated Property |
| Pc | 1923.67 | kPa | Joback Calculated Property |
| Inp | [1919.00; 1919.00] |
|
|
| Inp | 1919.00 | NIST | |
| Inp | 1919.00 | NIST | |
| Tboil | 670.52 | K | Joback Calculated Property |
| Tc | 877.44 | K | Joback Calculated Property |
| Tfus | 382.36 | K | Joback Calculated Property |
| Vc | 0.803 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [587.57; 680.30] | J/mol×K | [670.52; 877.44] |
|
| Cp,gas | 587.57 | J/mol×K | 670.52 | Joback Calculated Property |
| Cp,gas | 605.61 | J/mol×K | 705.01 | Joback Calculated Property |
| Cp,gas | 622.55 | J/mol×K | 739.49 | Joback Calculated Property |
| Cp,gas | 638.44 | J/mol×K | 773.98 | Joback Calculated Property |
| Cp,gas | 653.32 | J/mol×K | 808.46 | Joback Calculated Property |
| Cp,gas | 667.26 | J/mol×K | 842.95 | Joback Calculated Property |
| Cp,gas | 680.30 | J/mol×K | 877.44 | Joback Calculated Property |
| η | [0.0003824; 0.0019626] | Pa×s | [382.36; 670.52] |
|
| η | 0.0019626 | Pa×s | 382.36 | Joback Calculated Property |
| η | 0.0012835 | Pa×s | 430.39 | Joback Calculated Property |
| η | 0.0009141 | Pa×s | 478.41 | Joback Calculated Property |
| η | 0.0006926 | Pa×s | 526.44 | Joback Calculated Property |
| η | 0.0005497 | Pa×s | 574.47 | Joback Calculated Property |
| η | 0.0004521 | Pa×s | 622.49 | Joback Calculated Property |
| η | 0.0003824 | Pa×s | 670.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, hexyl ester.
Sources
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