- InChI
- InChI=1S/C20H34O4/c1-2-3-14-23-19(21)17-11-7-8-12-18(17)20(22)24-15-13-16-9-5-4-6-10-16/h16-18H,2-15H2,1H3
- InChI Key
- FSAPWUZNEKMZSJ-UHFFFAOYSA-N
- Formula
- C20H34O4
- SMILES
-
CCCCOC(=O)C1CCCCC1C(=O)OCCC1CC
CCC1 - Molecular Weight1
- 338.48
- 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 | 0.7578 | Relay (1.0) Calculated Property | |
| ΔfG° | -462.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -996.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.650 | Crippen Calculated Property | |
| McVol | 285.820 | ml/mol | McGowan Calculated Property |
| Pc | 1321.35 | kPa | Joback Calculated Property |
| Inp | [2402.00; 2402.00] |
|
|
| Inp | 2402.00 | NIST | |
| Inp | 2402.00 | NIST | |
| Tboil | 648.36 | K | Relay (1.0) Calculated Property |
| Tc | 867.05 | K | Relay (1.0) Calculated Property |
| Tfus | 287.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.041 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [949.73; 1050.35] | J/mol×K | [808.07; 1017.75] |
|
| Cp,gas | 949.73 | J/mol×K | 808.07 | Joback Calculated Property |
| Cp,gas | 970.80 | J/mol×K | 843.02 | Joback Calculated Property |
| Cp,gas | 990.12 | J/mol×K | 877.96 | Joback Calculated Property |
| Cp,gas | 1007.71 | J/mol×K | 912.91 | Joback Calculated Property |
| Cp,gas | 1023.59 | J/mol×K | 947.86 | Joback Calculated Property |
| Cp,gas | 1037.79 | J/mol×K | 982.81 | Joback Calculated Property |
| Cp,gas | 1050.35 | J/mol×K | 1017.75 | Joback Calculated Property |
| η | [0.0000570; 0.0020192] | Pa×s | [410.34; 808.07] |
|
| η | 0.0020192 | Pa×s | 410.34 | Joback Calculated Property |
| η | 0.0007369 | Pa×s | 476.63 | Joback Calculated Property |
| η | 0.0003440 | Pa×s | 542.92 | Joback Calculated Property |
| η | 0.0001896 | Pa×s | 609.20 | Joback Calculated Property |
| η | 0.0001174 | Pa×s | 675.49 | Joback Calculated Property |
| η | 0.0000792 | Pa×s | 741.78 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 808.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl 2-cyclohexylethyl ester.
Sources
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