- InChI
- InChI=1S/C21H40O4/c1-3-5-7-9-14-18-24-20(22)16-12-11-13-17-21(23)25-19-15-10-8-6-4-2/h3-19H2,1-2H3
- InChI Key
- WCTIHOKUQRCVCX-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCCOC(=O)CCCCCC(=O)OCCCCCC
C - 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 | 1.0853 | Relay (1.0) Calculated Property | |
| ΔfG° | -341.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1089.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.964 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1012.95 | kPa | Joback Calculated Property |
| Inp | [1811.00; 1811.00] |
|
|
| Inp | 1811.00 | NIST | |
| Inp | 1811.00 | NIST | |
| Tboil | 618.07 | K | Relay (1.0) Calculated Property |
| Tc | 786.64 | K | Relay (1.0) Calculated Property |
| Tfus | 285.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.256 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1030.26; 1126.13] | J/mol×K | [832.46; 1019.85] |
|
| Cp,gas | 1030.26 | J/mol×K | 832.46 | Joback Calculated Property |
| Cp,gas | 1048.96 | J/mol×K | 863.69 | Joback Calculated Property |
| Cp,gas | 1066.54 | J/mol×K | 894.92 | Joback Calculated Property |
| Cp,gas | 1083.03 | J/mol×K | 926.15 | Joback Calculated Property |
| Cp,gas | 1098.44 | J/mol×K | 957.39 | Joback Calculated Property |
| Cp,gas | 1112.80 | J/mol×K | 988.62 | Joback Calculated Property |
| Cp,gas | 1126.13 | J/mol×K | 1019.85 | Joback Calculated Property |
| η | [0.0000461; 0.0007511] | Pa×s | [470.75; 832.46] |
|
| η | 0.0007511 | Pa×s | 470.75 | Joback Calculated Property |
| η | 0.0003622 | Pa×s | 531.03 | Joback Calculated Property |
| η | 0.0002027 | Pa×s | 591.32 | Joback Calculated Property |
| η | 0.0001263 | Pa×s | 651.61 | Joback Calculated Property |
| η | 0.0000852 | Pa×s | 711.89 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 772.17 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 832.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, di(heptyl) ester.
Sources
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