- InChI
- InChI=1S/C21H38O5/c1-3-5-6-7-8-9-12-15-25-20(22)18-13-10-11-14-19(18)21(23)26-17-16-24-4-2/h18-19H,3-17H2,1-2H3
- InChI Key
- BTTJSVRNGQSAGU-UHFFFAOYSA-N
- Formula
- C21H38O5
- SMILES
-
CCCCCCCCCOC(=O)C1CCCCC1C(=O)OC
COCC - Molecular Weight1
- 370.52
- 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° | -430.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1064.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 4.666 | Crippen Calculated Property | |
| McVol | 316.640 | ml/mol | McGowan Calculated Property |
| Pc | 1120.80 | kPa | Joback Calculated Property |
| Inp | [2493.00; 2493.00] |
|
|
| Inp | 2493.00 | NIST | |
| Inp | 2493.00 | NIST | |
| Tboil | 869.76 | K | Joback Calculated Property |
| Tc | 1068.88 | K | Joback Calculated Property |
| Tfus | 496.12 | K | Joback Calculated Property |
| Vc | 1.210 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1062.78; 1153.41] | J/mol×K | [869.76; 1068.88] |
|
| Cp,gas | 1062.78 | J/mol×K | 869.76 | Joback Calculated Property |
| Cp,gas | 1081.56 | J/mol×K | 902.95 | Joback Calculated Property |
| Cp,gas | 1098.86 | J/mol×K | 936.13 | Joback Calculated Property |
| Cp,gas | 1114.68 | J/mol×K | 969.32 | Joback Calculated Property |
| Cp,gas | 1129.04 | J/mol×K | 1002.50 | Joback Calculated Property |
| Cp,gas | 1141.95 | J/mol×K | 1035.69 | Joback Calculated Property |
| Cp,gas | 1153.41 | J/mol×K | 1068.88 | Joback Calculated Property |
| η | [0.0000460; 0.0006307] | Pa×s | [496.12; 869.76] |
|
| η | 0.0006307 | Pa×s | 496.12 | Joback Calculated Property |
| η | 0.0003197 | Pa×s | 558.39 | Joback Calculated Property |
| η | 0.0001857 | Pa×s | 620.67 | Joback Calculated Property |
| η | 0.0001191 | Pa×s | 682.94 | Joback Calculated Property |
| η | 0.0000823 | Pa×s | 745.21 | Joback Calculated Property |
| η | 0.0000602 | Pa×s | 807.49 | Joback Calculated Property |
| η | 0.0000460 | Pa×s | 869.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-ethoxyethyl nonyl ester.
Sources
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