- InChI
- InChI=1S/C29H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)26-21-18-19-22-27(26)29(31)33-24-25(2)3/h25-27H,4-24H2,1-3H3
- InChI Key
- NFBITMHQFRGOQB-UHFFFAOYSA-N
- Formula
- C29H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C1CCCCC
1C(=O)OCC(C)C - 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° | -260.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1102.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.19 | kJ/mol | Joback Calculated Property |
| log10WS | -8.86 | Crippen Calculated Property | |
| logPoct/wat | 8.407 | Crippen Calculated Property | |
| McVol | 423.490 | ml/mol | McGowan Calculated Property |
| Pc | 718.76 | kPa | Joback Calculated Property |
| Inp | [3236.00; 3236.00] |
|
|
| Inp | 3236.00 | NIST | |
| Inp | 3236.00 | NIST | |
| Tboil | 1029.94 | K | Joback Calculated Property |
| Tc | 1268.88 | K | Joback Calculated Property |
| Tfus | 549.05 | K | Joback Calculated Property |
| Vc | 1.633 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1539.85; 1630.76] | J/mol×K | [1029.94; 1268.88] |
|
| Cp,gas | 1539.85 | J/mol×K | 1029.94 | Joback Calculated Property |
| Cp,gas | 1560.50 | J/mol×K | 1069.76 | Joback Calculated Property |
| Cp,gas | 1578.85 | J/mol×K | 1109.59 | Joback Calculated Property |
| Cp,gas | 1594.98 | J/mol×K | 1149.41 | Joback Calculated Property |
| Cp,gas | 1608.96 | J/mol×K | 1189.23 | Joback Calculated Property |
| Cp,gas | 1620.87 | J/mol×K | 1229.05 | Joback Calculated Property |
| Cp,gas | 1630.76 | J/mol×K | 1268.88 | Joback Calculated Property |
| η | [0.0000169; 0.0003910] | Pa×s | [549.05; 1029.94] |
|
| η | 0.0003910 | Pa×s | 549.05 | Joback Calculated Property |
| η | 0.0001660 | Pa×s | 629.20 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 709.35 | Joback Calculated Property |
| η | 0.0000504 | Pa×s | 789.50 | Joback Calculated Property |
| η | 0.0000328 | Pa×s | 869.64 | Joback Calculated Property |
| η | 0.0000229 | Pa×s | 949.79 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 1029.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptadecyl isobutyl ester.
Sources
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