- InChI
- InChI=1S/C28H54O4/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31-26(29)28(5,6)27(30)32-25(8-2)24(3)4/h24-25H,7-23H2,1-6H3
- InChI Key
- OMHOVWRMNJXIKB-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)
C(=O)OC(CC)C(C)C - 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 | 1.1618 | Relay (1.0) Calculated Property | |
| ΔfG° | -285.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1250.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.405 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 700.24 | kPa | Joback Calculated Property |
| Inp | 2859.00 | NIST | |
| Tboil | 640.11 | K | Relay (1.0) Calculated Property |
| Tc | 834.04 | K | Relay (1.0) Calculated Property |
| Tfus | 287.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.601 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1474.73; 1580.72] | J/mol×K | [988.51; 1218.05] | 
|
| Cp,gas | 1474.73 | J/mol×K | 988.51 | Joback Calculated Property |
| Cp,gas | 1496.50 | J/mol×K | 1026.77 | Joback Calculated Property |
| Cp,gas | 1516.51 | J/mol×K | 1065.02 | Joback Calculated Property |
| Cp,gas | 1534.84 | J/mol×K | 1103.28 | Joback Calculated Property |
| Cp,gas | 1551.60 | J/mol×K | 1141.54 | Joback Calculated Property |
| Cp,gas | 1566.86 | J/mol×K | 1179.79 | Joback Calculated Property |
| Cp,gas | 1580.72 | J/mol×K | 1218.05 | Joback Calculated Property |
| η | [0.0000099; 0.0003674] | Pa×s | [522.06; 988.51] |
|
| η | 0.0003674 | Pa×s | 522.06 | Joback Calculated Property |
| η | 0.0001361 | Pa×s | 599.80 | Joback Calculated Property |
| η | 0.0000633 | Pa×s | 677.54 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 755.29 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 833.03 | Joback Calculated Property |
| η | 0.0000140 | Pa×s | 910.77 | Joback Calculated Property |
| η | 0.0000099 | Pa×s | 988.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptadecyl 2-methylpent-3-yl ester.
Sources
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