- InChI
- InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-25(28)27(4,5)26(29)31-23-20-21-24(2)3/h24H,6-23H2,1-5H3
- InChI Key
- GGPXTOLHYAPVLH-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C
(=O)OCCCC(C)C - Molecular Weight1
- 440.70
- 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 | 1.1649 | Relay (1.0) Calculated Property | |
| ΔfG° | -443.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1227.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.017 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 702.47 | kPa | Joback Calculated Property |
| Inp | 2764.00 | NIST | |
| Tboil | 636.20 | K | Relay (1.0) Calculated Property |
| Tc | 830.13 | K | Relay (1.0) Calculated Property |
| Tfus | 284.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.566 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.15; 1430.51] | 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 | 3.00800e+00 | |||
| Coefficient B | 2.59100e+00 | |||
| Coefficient C | -1.43080e-03 | |||
| Coefficient D | 2.67300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 609.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 752.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 880.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 994.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1095.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1184.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1261.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1327.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1383.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1430.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006496; 0.0000197] | Pa×s | [466.13; 799.33] |
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 | -1.57286e+01 | |||
| Coefficient B | 3.91056e+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. | 466.13 | |||
| Temperature range, max. | 799.33 | |||
| η | 0.0006496 | Pa×s | 466.13 | Calculated Property |
| η | 0.0003504 | Pa×s | 503.15 | Calculated Property |
| η | 0.0002057 | Pa×s | 540.17 | Calculated Property |
| η | 0.0001293 | Pa×s | 577.20 | Calculated Property |
| η | 0.0000859 | Pa×s | 614.22 | Calculated Property |
| η | 0.0000598 | Pa×s | 651.24 | Calculated Property |
| η | 0.0000433 | Pa×s | 688.26 | Calculated Property |
| η | 0.0000324 | Pa×s | 725.28 | Calculated Property |
| η | 0.0000249 | Pa×s | 762.30 | Calculated Property |
| η | 0.0000197 | Pa×s | 799.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, hexadecyl isohexyl ester.
Sources
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