- InChI
- InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-30-26(28)24-19-16-17-20-25(24)27(29)31-23(4)22(2)3/h22-25H,5-21H2,1-4H3
- InChI Key
- UHXYNNFEIUIIRE-UHFFFAOYSA-N
- Formula
- C27H50O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(
=O)OC(C)C(C)C - Molecular Weight1
- 438.68
- 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° | -279.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1066.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.35 | kJ/mol | Joback Calculated Property |
| log10WS | -8.13 | Crippen Calculated Property | |
| logPoct/wat | 7.625 | Crippen Calculated Property | |
| McVol | 395.310 | ml/mol | McGowan Calculated Property |
| Pc | 802.51 | kPa | Joback Calculated Property |
| Inp | [2952.00; 2952.00] |
|
|
| Inp | 2952.00 | NIST | |
| Inp | 2952.00 | NIST | |
| Tboil | 983.74 | K | Joback Calculated Property |
| Tc | 1205.40 | K | Joback Calculated Property |
| Tfus | 511.51 | K | Joback Calculated Property |
| Vc | 1.516 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1411.04; 1503.17] | J/mol×K | [983.74; 1205.40] |
|
| Cp,gas | 1411.04 | J/mol×K | 983.74 | Joback Calculated Property |
| Cp,gas | 1431.14 | J/mol×K | 1020.68 | Joback Calculated Property |
| Cp,gas | 1449.27 | J/mol×K | 1057.63 | Joback Calculated Property |
| Cp,gas | 1465.49 | J/mol×K | 1094.57 | Joback Calculated Property |
| Cp,gas | 1479.85 | J/mol×K | 1131.51 | Joback Calculated Property |
| Cp,gas | 1492.39 | J/mol×K | 1168.46 | Joback Calculated Property |
| Cp,gas | 1503.17 | J/mol×K | 1205.40 | Joback Calculated Property |
| η | [0.0000210; 0.0005841] | Pa×s | [511.51; 983.74] |
|
| η | 0.0005841 | Pa×s | 511.51 | Joback Calculated Property |
| η | 0.0002320 | Pa×s | 590.22 | Joback Calculated Property |
| η | 0.0001145 | Pa×s | 668.92 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 747.62 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 826.33 | Joback Calculated Property |
| η | 0.0000288 | Pa×s | 905.03 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 983.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl tetradecyl ester.
Sources
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