- InChI
- InChI=1S/C28H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31-26(29)28(4,5)27(30)32-24-21-22-25(2)3/h25H,6-24H2,1-5H3
- InChI Key
- GJWSHHFGGQZXAA-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)
C(=O)OCCCC(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 | 1.2002 | Relay (1.0) Calculated Property | |
| ΔfG° | -435.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1246.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.407 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 668.04 | kPa | Joback Calculated Property |
| Inp | [2866.00; 2866.00] |
|
|
| Inp | 2866.00 | NIST | |
| Inp | 2866.00 | NIST | |
| Tboil | 642.98 | K | Relay (1.0) Calculated Property |
| Tc | 837.17 | K | Relay (1.0) Calculated Property |
| Tfus | 287.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.620 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1454.65; 1559.90] | J/mol×K | [953.01; 1173.08] |
|
| Cp,gas | 1454.65 | J/mol×K | 953.01 | Joback Calculated Property |
| Cp,gas | 1476.33 | J/mol×K | 989.69 | Joback Calculated Property |
| Cp,gas | 1496.24 | J/mol×K | 1026.37 | Joback Calculated Property |
| Cp,gas | 1514.47 | J/mol×K | 1063.05 | Joback Calculated Property |
| Cp,gas | 1531.10 | J/mol×K | 1099.73 | Joback Calculated Property |
| Cp,gas | 1546.22 | J/mol×K | 1136.40 | Joback Calculated Property |
| Cp,gas | 1559.90 | J/mol×K | 1173.08 | Joback Calculated Property |
| η | [0.0000083; 0.0005489] | Pa×s | [477.40; 953.01] |
|
| η | 0.0005489 | Pa×s | 477.40 | Joback Calculated Property |
| η | 0.0001662 | Pa×s | 556.67 | Joback Calculated Property |
| η | 0.0000678 | Pa×s | 635.94 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 715.20 | Joback Calculated Property |
| η | 0.0000193 | Pa×s | 794.47 | Joback Calculated Property |
| η | 0.0000122 | Pa×s | 873.74 | Joback Calculated Property |
| η | 0.0000083 | Pa×s | 953.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptadecyl isohexyl ester.
Sources
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