- InChI
- InChI=1S/C23H44O4/c1-18(14-22(3,4)5)16-26-20(24)12-10-9-11-13-21(25)27-17-19(2)15-23(6,7)8/h18-19H,9-17H2,1-8H3
- InChI Key
- ZPRXJYHZQIEPII-UHFFFAOYSA-N
- Formula
- C23H44O4
- SMILES
-
CC(COC(=O)CCCCCC(=O)OCC(C)CC(C
)(C)C)CC(C)(C)C - Molecular Weight1
- 384.59
- 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° | -324.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1035.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.74 | kJ/mol | Joback Calculated Property |
| log10WS | -6.21 | Crippen Calculated Property | |
| logPoct/wat | 6.168 | Crippen Calculated Property | |
| McVol | 349.810 | ml/mol | McGowan Calculated Property |
| Pc | 929.51 | kPa | Joback Calculated Property |
| Inp | [1770.00; 1770.00] |
|
|
| Inp | 1770.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Tboil | 870.88 | K | Joback Calculated Property |
| Tc | 1068.71 | K | Joback Calculated Property |
| Tfus | 468.13 | K | Joback Calculated Property |
| Vc | 1.337 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1156.01; 1254.84] | J/mol×K | [870.88; 1068.71] |
|
| Cp,gas | 1156.01 | J/mol×K | 870.88 | Joback Calculated Property |
| Cp,gas | 1175.35 | J/mol×K | 903.85 | Joback Calculated Property |
| Cp,gas | 1193.47 | J/mol×K | 936.82 | Joback Calculated Property |
| Cp,gas | 1210.42 | J/mol×K | 969.80 | Joback Calculated Property |
| Cp,gas | 1226.26 | J/mol×K | 1002.77 | Joback Calculated Property |
| Cp,gas | 1241.05 | J/mol×K | 1035.74 | Joback Calculated Property |
| Cp,gas | 1254.84 | J/mol×K | 1068.71 | Joback Calculated Property |
| η | [0.0000176; 0.0007283] | Pa×s | [468.13; 870.88] |
|
| η | 0.0007283 | Pa×s | 468.13 | Joback Calculated Property |
| η | 0.0002653 | Pa×s | 535.25 | Joback Calculated Property |
| η | 0.0001211 | Pa×s | 602.38 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 669.50 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 736.63 | Joback Calculated Property |
| η | 0.0000252 | Pa×s | 803.75 | Joback Calculated Property |
| η | 0.0000176 | Pa×s | 870.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, di(2,4,4-trimethylpentyl) ester.
Sources
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