- InChI
- InChI=1S/C19H36O4/c1-5-9-11-12-14-16-23-18(21)19(7-3,8-4)17(20)22-15-13-10-6-2/h5-16H2,1-4H3
- InChI Key
- QFLFECFAEVSXGQ-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCC
CCC - Molecular Weight1
- 328.49
- 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 | 0.8959 | Relay (1.0) Calculated Property | |
| ΔfG° | -355.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1027.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.040 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Pc | 1164.04 | kPa | Joback Calculated Property |
| Inp | [1965.00; 1965.00] |
|
|
| Inp | 1965.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Tboil | 585.37 | K | Relay (1.0) Calculated Property |
| Tc | 775.01 | K | Relay (1.0) Calculated Property |
| Tfus | 262.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.091 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [910.17; 1003.00] | J/mol×K | [783.47; 967.35] |
|
| Cp,gas | 910.17 | J/mol×K | 783.47 | Joback Calculated Property |
| Cp,gas | 928.06 | J/mol×K | 814.12 | Joback Calculated Property |
| Cp,gas | 944.94 | J/mol×K | 844.76 | Joback Calculated Property |
| Cp,gas | 960.85 | J/mol×K | 875.41 | Joback Calculated Property |
| Cp,gas | 975.81 | J/mol×K | 906.05 | Joback Calculated Property |
| Cp,gas | 989.85 | J/mol×K | 936.70 | Joback Calculated Property |
| Cp,gas | 1003.00 | J/mol×K | 967.35 | Joback Calculated Property |
| η | [0.0000497; 0.0009035] | Pa×s | [450.63; 783.47] |
|
| η | 0.0009035 | Pa×s | 450.63 | Joback Calculated Property |
| η | 0.0004275 | Pa×s | 506.10 | Joback Calculated Property |
| η | 0.0002345 | Pa×s | 561.58 | Joback Calculated Property |
| η | 0.0001433 | Pa×s | 617.05 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 672.52 | Joback Calculated Property |
| η | 0.0000670 | Pa×s | 728.00 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 783.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptyl pentyl ester.
Sources
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