- InChI
- InChI=1S/C20H30O4/c1-4-5-6-10-15-23-18(21)20(2,3)19(22)24-16-11-14-17-12-8-7-9-13-17/h7-9,12-13H,4-6,10-11,14-16H2,1-3H3
- InChI Key
- NPUJLTJPJKJBLP-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCCCOC(=O)C(C)(C)C(=O)OCCCc1
ccccc1 - Molecular Weight1
- 334.45
- 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 | 0.8616 | Relay (1.0) Calculated Property | |
| ΔfG° | -387.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -819.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.312 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1295.79 | kPa | Joback Calculated Property |
| Inp | 2228.00 | NIST | |
| Tboil | 621.13 | K | Relay (1.0) Calculated Property |
| Tc | 827.71 | K | Relay (1.0) Calculated Property |
| Tfus | 266.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.064 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [866.16; 949.28] | J/mol×K | [797.09; 996.74] | 
|
| Cp,gas | 866.16 | J/mol×K | 797.09 | Joback Calculated Property |
| Cp,gas | 882.93 | J/mol×K | 830.36 | Joback Calculated Property |
| Cp,gas | 898.47 | J/mol×K | 863.64 | Joback Calculated Property |
| Cp,gas | 912.83 | J/mol×K | 896.91 | Joback Calculated Property |
| Cp,gas | 926.05 | J/mol×K | 930.19 | Joback Calculated Property |
| Cp,gas | 938.19 | J/mol×K | 963.46 | Joback Calculated Property |
| Cp,gas | 949.28 | J/mol×K | 996.74 | Joback Calculated Property |
| η | [0.0000340; 0.0011288] | Pa×s | [428.66; 797.09] |
|
| η | 0.0011288 | Pa×s | 428.66 | Joback Calculated Property |
| η | 0.0004369 | Pa×s | 490.06 | Joback Calculated Property |
| η | 0.0002089 | Pa×s | 551.47 | Joback Calculated Property |
| η | 0.0001158 | Pa×s | 612.88 | Joback Calculated Property |
| η | 0.0000715 | Pa×s | 674.28 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 735.68 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 797.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, hexyl 3-phenylpropyl ester.
Sources
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