- InChI
- InChI=1S/C17H18O2/c18-17(14-7-2-1-3-8-14)19-16-11-10-13-6-4-5-9-15(13)12-16/h4-6,9-12,14H,1-3,7-8H2
- InChI Key
- DTJCAZMLSDVXEI-UHFFFAOYSA-N
- Formula
- C17H18O2
- SMILES
- O=C(Oc1ccc2ccccc2c1)C1CCCCC1
- Molecular Weight1
- 254.32
- 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° | 92.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -168.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.60 | kJ/mol | Joback Calculated Property |
| log10WS | -5.34 | Crippen Calculated Property | |
| logPoct/wat | 4.325 | Crippen Calculated Property | |
| McVol | 203.750 | ml/mol | McGowan Calculated Property |
| Pc | 2407.64 | kPa | Joback Calculated Property |
| Inp | [2187.00; 2187.00] |
|
|
| Inp | 2187.00 | NIST | |
| Inp | 2187.00 | NIST | |
| Tboil | 734.84 | K | Joback Calculated Property |
| Tc | 984.41 | K | Joback Calculated Property |
| Tfus | 432.53 | K | Joback Calculated Property |
| Vc | 0.758 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.50; 672.54] | J/mol×K | [734.84; 984.41] |
|
| Cp,gas | 583.50 | J/mol×K | 734.84 | Joback Calculated Property |
| Cp,gas | 601.87 | J/mol×K | 776.44 | Joback Calculated Property |
| Cp,gas | 618.70 | J/mol×K | 818.03 | Joback Calculated Property |
| Cp,gas | 634.09 | J/mol×K | 859.63 | Joback Calculated Property |
| Cp,gas | 648.13 | J/mol×K | 901.22 | Joback Calculated Property |
| Cp,gas | 660.92 | J/mol×K | 942.82 | Joback Calculated Property |
| Cp,gas | 672.54 | J/mol×K | 984.41 | Joback Calculated Property |
| η | [0.0002087; 0.0015212] | Pa×s | [432.53; 734.84] |
|
| η | 0.0015212 | Pa×s | 432.53 | Joback Calculated Property |
| η | 0.0009192 | Pa×s | 482.91 | Joback Calculated Property |
| η | 0.0006109 | Pa×s | 533.30 | Joback Calculated Property |
| η | 0.0004357 | Pa×s | 583.68 | Joback Calculated Property |
| η | 0.0003279 | Pa×s | 634.07 | Joback Calculated Property |
| η | 0.0002573 | Pa×s | 684.46 | Joback Calculated Property |
| η | 0.0002087 | Pa×s | 734.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 2-naphthyl ester.
Sources
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