- InChI
- InChI=1S/C26H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-24(27)26(4,5)25(28)30-22-19-20-23(2)3/h23H,6-22H2,1-5H3
- InChI Key
- APMMMWQNXJXIGW-UHFFFAOYSA-N
- Formula
- C26H50O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(C)(C)C(
=O)OCCCC(C)C - Molecular Weight1
- 426.68
- 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 | 1.1296 | Relay (1.0) Calculated Property | |
| ΔfG° | -452.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1207.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.626 | Crippen Calculated Property | |
| McVol | 392.080 | ml/mol | McGowan Calculated Property |
| Pc | 739.63 | kPa | Joback Calculated Property |
| Inp | 2669.00 | NIST | |
| Tboil | 629.35 | K | Relay (1.0) Calculated Property |
| Tc | 822.85 | K | Relay (1.0) Calculated Property |
| Tfus | 281.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.511 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1326.22; 1428.61] | J/mol×K | [907.25; 1111.84] | 
|
| Cp,gas | 1326.22 | J/mol×K | 907.25 | Joback Calculated Property |
| Cp,gas | 1346.89 | J/mol×K | 941.35 | Joback Calculated Property |
| Cp,gas | 1366.04 | J/mol×K | 975.45 | Joback Calculated Property |
| Cp,gas | 1383.72 | J/mol×K | 1009.55 | Joback Calculated Property |
| Cp,gas | 1400.01 | J/mol×K | 1043.64 | Joback Calculated Property |
| Cp,gas | 1414.95 | J/mol×K | 1077.74 | Joback Calculated Property |
| Cp,gas | 1428.61 | J/mol×K | 1111.84 | Joback Calculated Property |
| η | [0.0000117; 0.0007680] | Pa×s | [454.86; 907.25] |
|
| η | 0.0007680 | Pa×s | 454.86 | Joback Calculated Property |
| η | 0.0002329 | Pa×s | 530.26 | Joback Calculated Property |
| η | 0.0000951 | Pa×s | 605.66 | Joback Calculated Property |
| η | 0.0000473 | Pa×s | 681.06 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 756.45 | Joback Calculated Property |
| η | 0.0000171 | Pa×s | 831.85 | Joback Calculated Property |
| η | 0.0000117 | Pa×s | 907.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl pentadecyl ester.
Sources
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