- InChI
- InChI=1S/C20H38O4/c1-7-10-11-12-13-14-23-18(21)20(8-2,9-3)19(22)24-17(6)15-16(4)5/h16-17H,7-15H2,1-6H3
- InChI Key
- HSQVQSXDIXYARZ-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)OC(
C)CC(C)C - 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 | 0.8530 | Relay (1.0) Calculated Property | |
| ΔfG° | -352.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1086.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.284 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Pc | 1103.01 | kPa | Joback Calculated Property |
| Inp | [1934.00; 1934.00] |
|
|
| Inp | 1934.00 | NIST | |
| Inp | 1934.00 | NIST | |
| Tboil | 582.32 | K | Relay (1.0) Calculated Property |
| Tc | 769.11 | K | Relay (1.0) Calculated Property |
| Tfus | 256.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.130 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [971.15; 1066.15] | J/mol×K | [805.47; 993.66] |
|
| Cp,gas | 971.15 | J/mol×K | 805.47 | Joback Calculated Property |
| Cp,gas | 989.61 | J/mol×K | 836.83 | Joback Calculated Property |
| Cp,gas | 1006.98 | J/mol×K | 868.20 | Joback Calculated Property |
| Cp,gas | 1023.29 | J/mol×K | 899.56 | Joback Calculated Property |
| Cp,gas | 1038.57 | J/mol×K | 930.93 | Joback Calculated Property |
| Cp,gas | 1052.84 | J/mol×K | 962.29 | Joback Calculated Property |
| Cp,gas | 1066.15 | J/mol×K | 993.66 | Joback Calculated Property |
| η | [0.0000360; 0.0011766] | Pa×s | [431.90; 805.47] |
|
| η | 0.0011766 | Pa×s | 431.90 | Joback Calculated Property |
| η | 0.0004564 | Pa×s | 494.16 | Joback Calculated Property |
| η | 0.0002188 | Pa×s | 556.42 | Joback Calculated Property |
| η | 0.0001216 | Pa×s | 618.68 | Joback Calculated Property |
| η | 0.0000753 | Pa×s | 680.95 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 743.21 | Joback Calculated Property |
| η | 0.0000360 | Pa×s | 805.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptyl 4-methylpent-2-yl ester.
Sources
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