- InChI
- InChI=1S/C21H36O4/c1-2-3-9-15-24-20(22)18-12-7-8-13-19(18)21(23)25-16-14-17-10-5-4-6-11-17/h17-19H,2-16H2,1H3
- InChI Key
- MWJWABNRDZWNJJ-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CCCCCOC(=O)C1CCCCC1C(=O)OCCC1C
CCCC1 - Molecular Weight1
- 352.51
- 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 | 0.7981 | Relay (1.0) Calculated Property | |
| ΔfG° | -300.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1014.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.040 | Crippen Calculated Property | |
| McVol | 299.910 | ml/mol | McGowan Calculated Property |
| Pc | 1308.01 | kPa | Joback Calculated Property |
| Inp | 2497.00 | NIST | |
| Tboil | 656.09 | K | Relay (1.0) Calculated Property |
| Tc | 873.71 | K | Relay (1.0) Calculated Property |
| Tfus | 299.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.092 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1028.27; 1123.10] | J/mol×K | [866.89; 1079.98] | 
|
| Cp,gas | 1028.27 | J/mol×K | 866.89 | Joback Calculated Property |
| Cp,gas | 1048.33 | J/mol×K | 902.40 | Joback Calculated Property |
| Cp,gas | 1066.65 | J/mol×K | 937.92 | Joback Calculated Property |
| Cp,gas | 1083.26 | J/mol×K | 973.43 | Joback Calculated Property |
| Cp,gas | 1098.19 | J/mol×K | 1008.95 | Joback Calculated Property |
| Cp,gas | 1111.46 | J/mol×K | 1044.46 | Joback Calculated Property |
| Cp,gas | 1123.10 | J/mol×K | 1079.98 | Joback Calculated Property |
| η | [0.0000637; 0.0010437] | Pa×s | [481.27; 866.89] |
|
| η | 0.0010437 | Pa×s | 481.27 | Joback Calculated Property |
| η | 0.0004977 | Pa×s | 545.54 | Joback Calculated Property |
| η | 0.0002774 | Pa×s | 609.81 | Joback Calculated Property |
| η | 0.0001729 | Pa×s | 674.08 | Joback Calculated Property |
| η | 0.0001170 | Pa×s | 738.35 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 802.62 | Joback Calculated Property |
| η | 0.0000637 | Pa×s | 866.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl pentyl ester.
Sources
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