- InChI
- InChI=1S/C21H40O4/c1-4-7-9-13-17-24-20(22)15-11-10-12-16-21(23)25-18-19(6-3)14-8-5-2/h19H,4-18H2,1-3H3
- InChI Key
- ZEJWSIWSCFWOGB-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCOC(=O)CCCCCC(=O)OCC(CC)C
CCC - Molecular Weight1
- 356.54
- 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 | 1.0270 | Relay (1.0) Calculated Property | |
| ΔfG° | -344.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1097.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.820 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1018.13 | kPa | Joback Calculated Property |
| Inp | [2385.00; 2385.00] |
|
|
| Inp | 2385.00 | NIST | |
| Inp | 2385.00 | NIST | |
| Tboil | 619.58 | K | Relay (1.0) Calculated Property |
| Tc | 790.36 | K | Relay (1.0) Calculated Property |
| Tfus | 227.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.214 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1030.73; 1126.61] | J/mol×K | [832.02; 1019.80] |
|
| Cp,gas | 1030.73 | J/mol×K | 832.02 | Joback Calculated Property |
| Cp,gas | 1049.46 | J/mol×K | 863.32 | Joback Calculated Property |
| Cp,gas | 1067.07 | J/mol×K | 894.61 | Joback Calculated Property |
| Cp,gas | 1083.56 | J/mol×K | 925.91 | Joback Calculated Property |
| Cp,gas | 1098.97 | J/mol×K | 957.21 | Joback Calculated Property |
| Cp,gas | 1113.31 | J/mol×K | 988.51 | Joback Calculated Property |
| Cp,gas | 1126.61 | J/mol×K | 1019.80 | Joback Calculated Property |
| η | [0.0000422; 0.0008818] | Pa×s | [455.75; 832.02] |
|
| η | 0.0008818 | Pa×s | 455.75 | Joback Calculated Property |
| η | 0.0003912 | Pa×s | 518.46 | Joback Calculated Property |
| η | 0.0002068 | Pa×s | 581.17 | Joback Calculated Property |
| η | 0.0001238 | Pa×s | 643.88 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 706.60 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 769.31 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 832.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 2-ethylhexyl hexyl ester.
Sources
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