- InChI
- InChI=1S/C21H40O4/c1-16(2)13-18(4)25-20(23)12-10-8-9-11-19(22)24-15-17(3)14-21(5,6)7/h16-18H,8-15H2,1-7H3
- InChI Key
- ORDLIHMNBKOVLT-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CC(C)CC(C)OC(=O)CCCCCC(=O)OCC(
C)CC(C)(C)C - Molecular Weight1
- 356.54
- 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° | -346.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -990.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.72 | Crippen Calculated Property | |
| logPoct/wat | 5.530 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1041.25 | kPa | Joback Calculated Property |
| Inp | [1665.00; 1665.00] |
|
|
| Inp | 1665.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Tboil | 827.91 | K | Joback Calculated Property |
| Tc | 1019.21 | K | Joback Calculated Property |
| Tfus | 428.17 | K | Joback Calculated Property |
| Vc | 1.230 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1032.42; 1128.80] | J/mol×K | [827.91; 1019.21] |
|
| Cp,gas | 1032.42 | J/mol×K | 827.91 | Joback Calculated Property |
| Cp,gas | 1051.28 | J/mol×K | 859.79 | Joback Calculated Property |
| Cp,gas | 1068.97 | J/mol×K | 891.68 | Joback Calculated Property |
| Cp,gas | 1085.54 | J/mol×K | 923.56 | Joback Calculated Property |
| Cp,gas | 1101.01 | J/mol×K | 955.44 | Joback Calculated Property |
| Cp,gas | 1115.42 | J/mol×K | 987.33 | Joback Calculated Property |
| Cp,gas | 1128.80 | J/mol×K | 1019.21 | Joback Calculated Property |
| η | [0.0000283; 0.0012756] | Pa×s | [428.17; 827.91] |
|
| η | 0.0012756 | Pa×s | 428.17 | Joback Calculated Property |
| η | 0.0004409 | Pa×s | 494.79 | Joback Calculated Property |
| η | 0.0001961 | Pa×s | 561.42 | Joback Calculated Property |
| η | 0.0001036 | Pa×s | 628.04 | Joback Calculated Property |
| η | 0.0000618 | Pa×s | 694.66 | Joback Calculated Property |
| η | 0.0000404 | Pa×s | 761.29 | Joback Calculated Property |
| η | 0.0000283 | Pa×s | 827.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 2,4,4-trimethylpentyl ester.
Sources
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