- InChI
- InChI=1S/C28H54O4/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-32-27(30)28(3,4)26(29)31-24-22-10-8-6-2/h5-25H2,1-4H3
- InChI Key
- KWRBIDHFNFBDHQ-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)
C(=O)OCCCCCC - Molecular Weight1
- 454.73
- 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 | 1.2332 | Relay (1.0) Calculated Property | |
| ΔfG° | -280.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1229.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.551 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 694.35 | kPa | Joback Calculated Property |
| Inp | 2911.00 | NIST | |
| Tboil | 639.79 | K | Relay (1.0) Calculated Property |
| Tc | 835.97 | K | Relay (1.0) Calculated Property |
| Tfus | 296.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.631 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1474.13; 1582.58] | J/mol×K | [989.39; 1222.65] | 
|
| Cp,gas | 1474.13 | J/mol×K | 989.39 | Joback Calculated Property |
| Cp,gas | 1496.36 | J/mol×K | 1028.27 | Joback Calculated Property |
| Cp,gas | 1516.80 | J/mol×K | 1067.14 | Joback Calculated Property |
| Cp,gas | 1535.55 | J/mol×K | 1106.02 | Joback Calculated Property |
| Cp,gas | 1552.70 | J/mol×K | 1144.89 | Joback Calculated Property |
| Cp,gas | 1568.34 | J/mol×K | 1183.77 | Joback Calculated Property |
| Cp,gas | 1582.58 | J/mol×K | 1222.65 | Joback Calculated Property |
| η | [0.0000119; 0.0002762] | Pa×s | [552.06; 989.39] |
|
| η | 0.0002762 | Pa×s | 552.06 | Joback Calculated Property |
| η | 0.0001206 | Pa×s | 624.95 | Joback Calculated Property |
| η | 0.0000626 | Pa×s | 697.84 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 770.72 | Joback Calculated Property |
| η | 0.0000237 | Pa×s | 843.61 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 916.50 | Joback Calculated Property |
| η | 0.0000119 | Pa×s | 989.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptadecyl hexyl ester.
Sources
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