- InChI
- InChI=1S/C29H52O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-8-6-4-2/h18-19,26-27H,3-17,20-25H2,1-2H3
- InChI Key
- KSMJSJUOMLUMGF-UHFFFAOYSA-N
- Formula
- C29H52O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CC=CCC1
C(=O)OCCCCCC - Molecular Weight1
- 464.72
- 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° | -227.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1039.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.87 | kJ/mol | Joback Calculated Property |
| log10WS | -8.95 | Crippen Calculated Property | |
| logPoct/wat | 8.327 | Crippen Calculated Property | |
| McVol | 419.190 | ml/mol | McGowan Calculated Property |
| Pc | 729.67 | kPa | Joback Calculated Property |
| Inp | [3189.00; 3189.00] |
|
|
| Inp | 3189.00 | NIST | |
| Inp | 3189.00 | NIST | |
| Tboil | 1029.54 | K | Joback Calculated Property |
| Tc | 1269.23 | K | Joback Calculated Property |
| Tfus | 564.81 | K | Joback Calculated Property |
| Vc | 1.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1507.35; 1596.97] | J/mol×K | [1029.54; 1269.23] |
|
| Cp,gas | 1507.35 | J/mol×K | 1029.54 | Joback Calculated Property |
| Cp,gas | 1527.56 | J/mol×K | 1069.49 | Joback Calculated Property |
| Cp,gas | 1545.56 | J/mol×K | 1109.44 | Joback Calculated Property |
| Cp,gas | 1561.43 | J/mol×K | 1149.39 | Joback Calculated Property |
| Cp,gas | 1575.24 | J/mol×K | 1189.34 | Joback Calculated Property |
| Cp,gas | 1587.06 | J/mol×K | 1229.28 | Joback Calculated Property |
| Cp,gas | 1596.97 | J/mol×K | 1269.23 | Joback Calculated Property |
| η | [0.0000205; 0.0003529] | Pa×s | [564.81; 1029.54] |
|
| η | 0.0003529 | Pa×s | 564.81 | Joback Calculated Property |
| η | 0.0001651 | Pa×s | 642.26 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 719.72 | Joback Calculated Property |
| η | 0.0000563 | Pa×s | 797.17 | Joback Calculated Property |
| η | 0.0000379 | Pa×s | 874.63 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 952.08 | Joback Calculated Property |
| η | 0.0000205 | Pa×s | 1029.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl pentadecyl ester.
Sources
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