- InChI
- InChI=1S/C25H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-28-23(26)25(4,5)24(27)29-21-18-19-22(2)3/h22H,6-21H2,1-5H3
- InChI Key
- BMSBPDCDMJZGHI-UHFFFAOYSA-N
- Formula
- C25H48O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(C)(C)C(=
O)OCCCC(C)C - Molecular Weight1
- 412.65
- 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 | 1.0943 | Relay (1.0) Calculated Property | |
| ΔfG° | -460.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1187.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.236 | Crippen Calculated Property | |
| McVol | 377.990 | ml/mol | McGowan Calculated Property |
| Pc | 779.81 | kPa | Joback Calculated Property |
| Inp | [2575.00; 2575.00] |
|
|
| Inp | 2575.00 | NIST | |
| Inp | 2575.00 | NIST | |
| Tboil | 622.42 | K | Relay (1.0) Calculated Property |
| Tc | 815.48 | K | Relay (1.0) Calculated Property |
| Tfus | 277.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.456 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1262.67; 1363.79] | J/mol×K | [884.37; 1082.84] |
|
| Cp,gas | 1262.67 | J/mol×K | 884.37 | Joback Calculated Property |
| Cp,gas | 1282.91 | J/mol×K | 917.45 | Joback Calculated Property |
| Cp,gas | 1301.73 | J/mol×K | 950.53 | Joback Calculated Property |
| Cp,gas | 1319.17 | J/mol×K | 983.61 | Joback Calculated Property |
| Cp,gas | 1335.30 | J/mol×K | 1016.68 | Joback Calculated Property |
| Cp,gas | 1350.15 | J/mol×K | 1049.76 | Joback Calculated Property |
| Cp,gas | 1363.79 | J/mol×K | 1082.84 | Joback Calculated Property |
| η | [0.0000138; 0.0009071] | Pa×s | [443.59; 884.37] |
|
| η | 0.0009071 | Pa×s | 443.59 | Joback Calculated Property |
| η | 0.0002754 | Pa×s | 517.05 | Joback Calculated Property |
| η | 0.0001124 | Pa×s | 590.52 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 663.98 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 737.44 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 810.91 | Joback Calculated Property |
| η | 0.0000138 | Pa×s | 884.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl tetradecyl ester.
Sources
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