- InChI
- InChI=1S/C20H38O4/c1-4-7-12-16-23-19(21)14-10-9-11-15-20(22)24-17-18(6-3)13-8-5-2/h18H,4-17H2,1-3H3
- InChI Key
- CEIMSBITYWOONI-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CCCCCOC(=O)CCCCCC(=O)OCC(CC)CC
CC - Molecular Weight1
- 342.51
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9925 | Relay (1.0) Calculated Property | |
| ΔfG° | -352.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1077.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.430 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Pc | 1083.49 | kPa | Joback Calculated Property |
| Inp | [2288.00; 2288.00] |
|
|
| Inp | 2288.00 | NIST | |
| Inp | 2288.00 | NIST | |
| Tboil | 612.11 | K | Relay (1.0) Calculated Property |
| Tc | 781.79 | K | Relay (1.0) Calculated Property |
| Tfus | 223.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.158 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [969.66; 1064.10] | J/mol×K | [809.14; 993.61] |
|
| Cp,gas | 969.66 | J/mol×K | 809.14 | Joback Calculated Property |
| Cp,gas | 987.99 | J/mol×K | 839.88 | Joback Calculated Property |
| Cp,gas | 1005.26 | J/mol×K | 870.63 | Joback Calculated Property |
| Cp,gas | 1021.49 | J/mol×K | 901.37 | Joback Calculated Property |
| Cp,gas | 1036.69 | J/mol×K | 932.12 | Joback Calculated Property |
| Cp,gas | 1050.89 | J/mol×K | 962.86 | Joback Calculated Property |
| Cp,gas | 1064.10 | J/mol×K | 993.61 | Joback Calculated Property |
| η | [0.0000489; 0.0009916] | Pa×s | [444.48; 809.14] |
|
| η | 0.0009916 | Pa×s | 444.48 | Joback Calculated Property |
| η | 0.0004441 | Pa×s | 505.26 | Joback Calculated Property |
| η | 0.0002364 | Pa×s | 566.03 | Joback Calculated Property |
| η | 0.0001422 | Pa×s | 626.81 | Joback Calculated Property |
| η | 0.0000935 | Pa×s | 687.59 | Joback Calculated Property |
| η | 0.0000659 | Pa×s | 748.36 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 809.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 2-ethylhexyl pentyl ester.
Sources
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