- InChI
- InChI=1S/C20H22O3/c21-20(17-9-5-2-6-10-17)23-19-13-11-18(12-14-19)22-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2
- InChI Key
- WFTHGCZJTHGGCB-UHFFFAOYSA-N
- Formula
- C20H22O3
- SMILES
-
O=C(Oc1ccc(OCc2ccccc2)cc1)C1CC
CCC1 - Molecular Weight1
- 310.39
- 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° | 18.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.76 | Crippen Calculated Property | |
| logPoct/wat | 4.751 | Crippen Calculated Property | |
| McVol | 247.590 | ml/mol | McGowan Calculated Property |
| Pc | 1963.07 | kPa | Joback Calculated Property |
| Inp | [2589.00; 2589.00] |
|
|
| Inp | 2589.00 | NIST | |
| Inp | 2589.00 | NIST | |
| Tboil | 833.60 | K | Joback Calculated Property |
| Tc | 1080.64 | K | Joback Calculated Property |
| Tfus | 482.29 | K | Joback Calculated Property |
| Vc | 0.914 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [760.92; 842.25] | J/mol×K | [833.60; 1080.64] |
|
| Cp,gas | 760.92 | J/mol×K | 833.60 | Joback Calculated Property |
| Cp,gas | 778.70 | J/mol×K | 874.77 | Joback Calculated Property |
| Cp,gas | 794.71 | J/mol×K | 915.95 | Joback Calculated Property |
| Cp,gas | 809.01 | J/mol×K | 957.12 | Joback Calculated Property |
| Cp,gas | 821.66 | J/mol×K | 998.29 | Joback Calculated Property |
| Cp,gas | 832.72 | J/mol×K | 1039.47 | Joback Calculated Property |
| Cp,gas | 842.25 | J/mol×K | 1080.64 | Joback Calculated Property |
| η | [0.0000602; 0.0007094] | Pa×s | [482.29; 833.60] |
|
| η | 0.0007094 | Pa×s | 482.29 | Joback Calculated Property |
| η | 0.0003764 | Pa×s | 540.84 | Joback Calculated Property |
| η | 0.0002260 | Pa×s | 599.39 | Joback Calculated Property |
| η | 0.0001486 | Pa×s | 657.94 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 716.50 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 775.05 | Joback Calculated Property |
| η | 0.0000602 | Pa×s | 833.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 4-benzyloxyphenyl ester.
Sources
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