- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.73; 1327.33] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.82600e+00 | |||
| Coefficient B | 2.40100e+00 | |||
| Coefficient C | -1.32200e-03 | |||
| Coefficient D | 2.43500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 566.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 699.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 818.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 924.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1017.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1099.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1170.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1232.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1283.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1327.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009071; 0.0000279] | Pa×s | [443.59; 757.99] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.53964e+01 | |||
| Coefficient B | 3.72224e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 443.59 | |||
| Temperature range, max. | 757.99 | |||
| η | 0.0009071 | Pa×s | 443.59 | Calculated Property |
| η | 0.0004916 | Pa×s | 478.52 | Calculated Property |
| η | 0.0002896 | Pa×s | 513.46 | Calculated Property |
| η | 0.0001825 | Pa×s | 548.39 | Calculated Property |
| η | 0.0001215 | Pa×s | 583.32 | Calculated Property |
| η | 0.0000847 | Pa×s | 618.26 | Calculated Property |
| η | 0.0000614 | Pa×s | 653.19 | Calculated Property |
| η | 0.0000460 | Pa×s | 688.12 | Calculated Property |
| η | 0.0000354 | Pa×s | 723.06 | Calculated Property |
| η | 0.0000279 | Pa×s | 757.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl tetradecyl ester.
Sources
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