- InChI
- InChI=1S/C19H20O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2
- InChI Key
- FNFLCKGXSVZHKK-UHFFFAOYSA-N
- Formula
- C19H20O2
- SMILES
-
O=C(Oc1ccc(-c2ccccc2)cc1)C1CCC
CC1 - Molecular Weight1
- 280.36
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6216 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.839 | Crippen Calculated Property | |
| McVol | 227.630 | ml/mol | McGowan Calculated Property |
| Pc | 2175.46 | kPa | Joback Calculated Property |
| Inp | [2526.00; 2526.00] |
|
|
| Inp | 2526.00 | NIST | |
| Inp | 2526.00 | NIST | |
| Tboil | 671.54 | K | Relay (1.0) Calculated Property |
| Tc | 925.90 | K | Relay (1.0) Calculated Property |
| Tfus | 391.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.812 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.42; 763.23] | J/mol×K | [788.30; 1044.24] |
|
| Cp,gas | 675.42 | J/mol×K | 788.30 | Joback Calculated Property |
| Cp,gas | 694.24 | J/mol×K | 830.96 | Joback Calculated Property |
| Cp,gas | 711.26 | J/mol×K | 873.61 | Joback Calculated Property |
| Cp,gas | 726.59 | J/mol×K | 916.27 | Joback Calculated Property |
| Cp,gas | 740.30 | J/mol×K | 958.93 | Joback Calculated Property |
| Cp,gas | 752.49 | J/mol×K | 1001.58 | Joback Calculated Property |
| Cp,gas | 763.23 | J/mol×K | 1044.24 | Joback Calculated Property |
| η | [0.0000901; 0.0010998] | Pa×s | [448.79; 788.30] |
|
| η | 0.0010998 | Pa×s | 448.79 | Joback Calculated Property |
| η | 0.0005738 | Pa×s | 505.38 | Joback Calculated Property |
| η | 0.0003413 | Pa×s | 561.96 | Joback Calculated Property |
| η | 0.0002233 | Pa×s | 618.54 | Joback Calculated Property |
| η | 0.0001568 | Pa×s | 675.13 | Joback Calculated Property |
| η | 0.0001163 | Pa×s | 731.71 | Joback Calculated Property |
| η | 0.0000901 | Pa×s | 788.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 4-biphenyl ester.
Sources
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