- InChI
- InChI=1S/C21H36O4/c1-3-5-6-7-8-9-10-13-17-25-21(23)19-15-12-11-14-18(19)20(22)24-16-4-2/h4,18-19H,2-3,5-17H2,1H3
- InChI Key
- CBTDOECWCJSHTQ-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
C=CCOC(=O)C1CCCCC1C(=O)OCCCCCC
CCCC - Molecular Weight1
- 352.51
- 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° | -237.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -806.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.10 | kJ/mol | Joback Calculated Property |
| log10WS | -5.60 | Crippen Calculated Property | |
| logPoct/wat | 5.206 | Crippen Calculated Property | |
| McVol | 306.470 | ml/mol | McGowan Calculated Property |
| Pc | 1166.43 | kPa | Joback Calculated Property |
| Inp | [2431.00; 2431.00] |
|
|
| Inp | 2431.00 | NIST | |
| Inp | 2431.00 | NIST | |
| Tboil | 844.02 | K | Joback Calculated Property |
| Tc | 1041.73 | K | Joback Calculated Property |
| Tfus | 472.13 | K | Joback Calculated Property |
| Vc | 1.173 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1003.17; 1096.95] | J/mol×K | [844.02; 1041.73] |
|
| Cp,gas | 1003.17 | J/mol×K | 844.02 | Joback Calculated Property |
| Cp,gas | 1022.08 | J/mol×K | 876.97 | Joback Calculated Property |
| Cp,gas | 1039.65 | J/mol×K | 909.92 | Joback Calculated Property |
| Cp,gas | 1055.89 | J/mol×K | 942.87 | Joback Calculated Property |
| Cp,gas | 1070.84 | J/mol×K | 975.82 | Joback Calculated Property |
| Cp,gas | 1084.52 | J/mol×K | 1008.78 | Joback Calculated Property |
| Cp,gas | 1096.95 | J/mol×K | 1041.73 | Joback Calculated Property |
| η | [0.0000658; 0.0009279] | Pa×s | [472.13; 844.02] |
|
| η | 0.0009279 | Pa×s | 472.13 | Joback Calculated Property |
| η | 0.0004622 | Pa×s | 534.11 | Joback Calculated Property |
| η | 0.0002661 | Pa×s | 596.09 | Joback Calculated Property |
| η | 0.0001700 | Pa×s | 658.08 | Joback Calculated Property |
| η | 0.0001173 | Pa×s | 720.06 | Joback Calculated Property |
| η | 0.0000859 | Pa×s | 782.04 | Joback Calculated Property |
| η | 0.0000658 | Pa×s | 844.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, allyl decyl ester.
Sources
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