- InChI
- InChI=1S/C16H22O2/c1-4-15(11(2)3)18-16(17)14-10-13(14)12-8-6-5-7-9-12/h5-9,11,13-15H,4,10H2,1-3H3
- InChI Key
- WLRIXJBCJWGMBM-UHFFFAOYSA-N
- Formula
- C16H22O2
- SMILES
- CCC(OC(=O)C1CC1c1ccccc1)C(C)C
- 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° | 10.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -339.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.768 | Crippen Calculated Property | |
| McVol | 209.120 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | [1777.00; 1777.00] |
|
|
| Inp | 1777.00 | NIST | |
| Inp | 1777.00 | NIST | |
| Tboil | 669.64 | K | Joback Calculated Property |
| Tc | 884.28 | K | Joback Calculated Property |
| Tfus | 352.36 | K | Joback Calculated Property |
| Vc | 0.791 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [588.48; 684.20] | J/mol×K | [669.64; 884.28] |
|
| Cp,gas | 588.48 | J/mol×K | 669.64 | Joback Calculated Property |
| Cp,gas | 607.27 | J/mol×K | 705.41 | Joback Calculated Property |
| Cp,gas | 624.84 | J/mol×K | 741.19 | Joback Calculated Property |
| Cp,gas | 641.27 | J/mol×K | 776.96 | Joback Calculated Property |
| Cp,gas | 656.59 | J/mol×K | 812.73 | Joback Calculated Property |
| Cp,gas | 670.88 | J/mol×K | 848.51 | Joback Calculated Property |
| Cp,gas | 684.20 | J/mol×K | 884.28 | Joback Calculated Property |
| η | [0.0003284; 0.0025727] | Pa×s | [352.36; 669.64] |
|
| η | 0.0025727 | Pa×s | 352.36 | Joback Calculated Property |
| η | 0.0014594 | Pa×s | 405.24 | Joback Calculated Property |
| η | 0.0009437 | Pa×s | 458.12 | Joback Calculated Property |
| η | 0.0006678 | Pa×s | 511.00 | Joback Calculated Property |
| η | 0.0005042 | Pa×s | 563.88 | Joback Calculated Property |
| η | 0.0003995 | Pa×s | 616.76 | Joback Calculated Property |
| η | 0.0003284 | Pa×s | 669.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, 2-methylpent-3-yl ester.
Sources
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