- InChI
- InChI=1S/C27H52O4/c1-22(2)12-10-14-24(5)18-20-30-26(28)16-8-7-9-17-27(29)31-21-19-25(6)15-11-13-23(3)4/h22-25H,7-21H2,1-6H3
- InChI Key
- SNRQTBKMBPVSSZ-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CC(C)CCCC(C)CCOC(=O)CCCCCC(=O)
OCCC(C)CCCC(C)C - Molecular Weight1
- 440.70
- 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° | -301.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1111.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.46 | kJ/mol | Joback Calculated Property |
| log10WS | -7.88 | Crippen Calculated Property | |
| logPoct/wat | 7.728 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 736.02 | kPa | Joback Calculated Property |
| Inp | [2873.00; 2873.00] |
|
|
| Inp | 2873.00 | NIST | |
| Inp | 2873.00 | NIST | |
| Tboil | 967.98 | K | Joback Calculated Property |
| Tc | 1190.47 | K | Joback Calculated Property |
| Tfus | 478.37 | K | Joback Calculated Property |
| Vc | 1.571 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1411.04; 1512.51] | J/mol×K | [967.98; 1190.47] |
|
| Cp,gas | 1411.04 | J/mol×K | 967.98 | Joback Calculated Property |
| Cp,gas | 1432.26 | J/mol×K | 1005.06 | Joback Calculated Property |
| Cp,gas | 1451.69 | J/mol×K | 1042.14 | Joback Calculated Property |
| Cp,gas | 1469.38 | J/mol×K | 1079.22 | Joback Calculated Property |
| Cp,gas | 1485.37 | J/mol×K | 1116.30 | Joback Calculated Property |
| Cp,gas | 1499.73 | J/mol×K | 1153.39 | Joback Calculated Property |
| Cp,gas | 1512.51 | J/mol×K | 1190.47 | Joback Calculated Property |
| η | [0.0000127; 0.0006641] | Pa×s | [478.37; 967.98] |
|
| η | 0.0006641 | Pa×s | 478.37 | Joback Calculated Property |
| η | 0.0002125 | Pa×s | 559.97 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 641.57 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 723.17 | Joback Calculated Property |
| η | 0.0000279 | Pa×s | 804.78 | Joback Calculated Property |
| η | 0.0000182 | Pa×s | 886.38 | Joback Calculated Property |
| η | 0.0000127 | Pa×s | 967.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, di(3,7-dimethyloctyl) ester.
Sources
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