- InChI
- InChI=1S/C20H38O4/c1-3-5-7-9-14-18-24-20(22)16-12-10-11-15-19(21)23-17-13-8-6-4-2/h3-18H2,1-2H3
- InChI Key
- NFSLVMGPCCJTNV-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
- CCCCCCCOC(=O)CCCCCC(=O)OCCCCCC
- Molecular Weight1
- 342.51
- 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° | -350.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -945.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.43 | kJ/mol | Joback Calculated Property |
| log10WS | -5.92 | Crippen Calculated Property | |
| logPoct/wat | 5.574 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Pc | 1077.81 | kPa | Joback Calculated Property |
| Inp | [1757.00; 1757.00] |
|
|
| Inp | 1757.00 | NIST | |
| Inp | 1757.00 | NIST | |
| Tboil | 809.58 | K | Joback Calculated Property |
| Tc | 993.33 | K | Joback Calculated Property |
| Tfus | 459.48 | K | Joback Calculated Property |
| Vc | 1.204 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [969.18; 1063.43] | J/mol×K | [809.58; 993.33] |
|
| Cp,gas | 969.18 | J/mol×K | 809.58 | Joback Calculated Property |
| Cp,gas | 987.44 | J/mol×K | 840.20 | Joback Calculated Property |
| Cp,gas | 1004.65 | J/mol×K | 870.83 | Joback Calculated Property |
| Cp,gas | 1020.84 | J/mol×K | 901.45 | Joback Calculated Property |
| Cp,gas | 1036.02 | J/mol×K | 932.08 | Joback Calculated Property |
| Cp,gas | 1050.21 | J/mol×K | 962.70 | Joback Calculated Property |
| Cp,gas | 1063.43 | J/mol×K | 993.33 | Joback Calculated Property |
| η | [0.0000533; 0.0008397] | Pa×s | [459.48; 809.58] |
|
| η | 0.0008397 | Pa×s | 459.48 | Joback Calculated Property |
| η | 0.0004093 | Pa×s | 517.83 | Joback Calculated Property |
| η | 0.0002308 | Pa×s | 576.18 | Joback Calculated Property |
| η | 0.0001446 | Pa×s | 634.53 | Joback Calculated Property |
| η | 0.0000980 | Pa×s | 692.88 | Joback Calculated Property |
| η | 0.0000706 | Pa×s | 751.23 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 809.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, heptyl hexyl ester.
Sources
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