- InChI
- InChI=1S/C17H22O2/c18-17(19-12-13-7-3-1-4-8-13)16-11-15(16)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2
- InChI Key
- YMOFCEPOIRCUQY-UHFFFAOYSA-N
- Formula
- C17H22O2
- SMILES
- O=C(OCC1CCCCC1)C1CC1c1ccccc1
- Molecular Weight1
- 258.36
- 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° | 48.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.17 | Crippen Calculated Property | |
| logPoct/wat | 3.914 | Crippen Calculated Property | |
| McVol | 212.350 | ml/mol | McGowan Calculated Property |
| Pc | 2121.68 | kPa | Joback Calculated Property |
| Inp | [2116.00; 2116.00] |
|
|
| Inp | 2116.00 | NIST | |
| Inp | 2116.00 | NIST | |
| Tboil | 712.95 | K | Joback Calculated Property |
| Tc | 949.58 | K | Joback Calculated Property |
| Tfus | 401.01 | K | Joback Calculated Property |
| Vc | 0.792 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [636.83; 740.85] | J/mol×K | [712.95; 949.58] |
|
| Cp,gas | 636.83 | J/mol×K | 712.95 | Joback Calculated Property |
| Cp,gas | 657.93 | J/mol×K | 752.39 | Joback Calculated Property |
| Cp,gas | 677.42 | J/mol×K | 791.83 | Joback Calculated Property |
| Cp,gas | 695.36 | J/mol×K | 831.26 | Joback Calculated Property |
| Cp,gas | 711.86 | J/mol×K | 870.70 | Joback Calculated Property |
| Cp,gas | 727.00 | J/mol×K | 910.14 | Joback Calculated Property |
| Cp,gas | 740.85 | J/mol×K | 949.58 | Joback Calculated Property |
| η | [0.0003827; 0.0023764] | Pa×s | [401.01; 712.95] |
|
| η | 0.0023764 | Pa×s | 401.01 | Joback Calculated Property |
| η | 0.0014720 | Pa×s | 453.00 | Joback Calculated Property |
| η | 0.0010063 | Pa×s | 504.99 | Joback Calculated Property |
| η | 0.0007385 | Pa×s | 556.98 | Joback Calculated Property |
| η | 0.0005714 | Pa×s | 608.97 | Joback Calculated Property |
| η | 0.0004603 | Pa×s | 660.96 | Joback Calculated Property |
| η | 0.0003827 | Pa×s | 712.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, cyclohexylmethyl ester.
Sources
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