- InChI
- InChI=1S/C29H54O4/c1-3-5-7-9-10-11-12-13-14-15-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-16-8-6-4-2/h26-27H,3-25H2,1-2H3
- InChI Key
- VDFCHJRCBRRXII-UHFFFAOYSA-N
- Formula
- C29H54O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(
=O)OCCCCCCC - Molecular Weight1
- 466.74
- 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° | -257.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1097.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.58 | kJ/mol | Joback Calculated Property |
| log10WS | -9.10 | Crippen Calculated Property | |
| logPoct/wat | 8.551 | Crippen Calculated Property | |
| McVol | 423.490 | ml/mol | McGowan Calculated Property |
| Pc | 715.68 | kPa | Joback Calculated Property |
| Inp | [3230.00; 3230.00] |
|
|
| Inp | 3230.00 | NIST | |
| Inp | 3230.00 | NIST | |
| Tboil | 1030.38 | K | Joback Calculated Property |
| Tc | 1271.14 | K | Joback Calculated Property |
| Tfus | 564.05 | K | Joback Calculated Property |
| Vc | 1.639 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1539.62; 1631.62] | J/mol×K | [1030.38; 1271.14] |
|
| Cp,gas | 1539.62 | J/mol×K | 1030.38 | Joback Calculated Property |
| Cp,gas | 1560.49 | J/mol×K | 1070.51 | Joback Calculated Property |
| Cp,gas | 1579.04 | J/mol×K | 1110.63 | Joback Calculated Property |
| Cp,gas | 1595.36 | J/mol×K | 1150.76 | Joback Calculated Property |
| Cp,gas | 1609.51 | J/mol×K | 1190.88 | Joback Calculated Property |
| Cp,gas | 1621.57 | J/mol×K | 1231.01 | Joback Calculated Property |
| Cp,gas | 1631.62 | J/mol×K | 1271.14 | Joback Calculated Property |
| η | [0.0000186; 0.0003496] | Pa×s | [564.05; 1030.38] |
|
| η | 0.0003496 | Pa×s | 564.05 | Joback Calculated Property |
| η | 0.0001595 | Pa×s | 641.77 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 719.49 | Joback Calculated Property |
| η | 0.0000526 | Pa×s | 797.22 | Joback Calculated Property |
| η | 0.0000350 | Pa×s | 874.94 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 952.66 | Joback Calculated Property |
| η | 0.0000186 | Pa×s | 1030.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptyl tetradecyl ester.
Sources
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