- InChI
- InChI=1S/C20H32O4/c1-2-3-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-16-10-5-4-6-11-16/h4-5,16-18H,2-3,6-15H2,1H3
- InChI Key
- LHENTQBCOHNCNO-UHFFFAOYSA-N
- Formula
- C20H32O4
- SMILES
-
CCCCCOC(=O)C1CCCCC1C(=O)OCC1CC
=CCC1 - Molecular Weight1
- 336.47
- 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° | -279.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.27 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 4.426 | Crippen Calculated Property | |
| McVol | 281.520 | ml/mol | McGowan Calculated Property |
| Pc | 1442.44 | kPa | Joback Calculated Property |
| Inp | [2414.00; 2414.00] |
|
|
| Inp | 2414.00 | NIST | |
| Inp | 2414.00 | NIST | |
| Tboil | 843.17 | K | Joback Calculated Property |
| Tc | 1058.14 | K | Joback Calculated Property |
| Tfus | 470.76 | K | Joback Calculated Property |
| Vc | 1.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [938.36; 1031.07] | J/mol×K | [843.17; 1058.14] |
|
| Cp,gas | 938.36 | J/mol×K | 843.17 | Joback Calculated Property |
| Cp,gas | 957.90 | J/mol×K | 879.00 | Joback Calculated Property |
| Cp,gas | 975.77 | J/mol×K | 914.83 | Joback Calculated Property |
| Cp,gas | 991.99 | J/mol×K | 950.66 | Joback Calculated Property |
| Cp,gas | 1006.60 | J/mol×K | 986.48 | Joback Calculated Property |
| Cp,gas | 1019.62 | J/mol×K | 1022.31 | Joback Calculated Property |
| Cp,gas | 1031.07 | J/mol×K | 1058.14 | Joback Calculated Property |
| η | [0.0000792; 0.0011321] | Pa×s | [470.76; 843.17] |
|
| η | 0.0011321 | Pa×s | 470.76 | Joback Calculated Property |
| η | 0.0005613 | Pa×s | 532.83 | Joback Calculated Property |
| η | 0.0003222 | Pa×s | 594.90 | Joback Calculated Property |
| η | 0.0002054 | Pa×s | 656.97 | Joback Calculated Property |
| η | 0.0001415 | Pa×s | 719.03 | Joback Calculated Property |
| η | 0.0001034 | Pa×s | 781.10 | Joback Calculated Property |
| η | 0.0000792 | Pa×s | 843.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl pentyl ester.
Sources
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