- InChI
- InChI=1S/C29H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32-27(30)29(4,5)28(31)33-25-22-23-26(2)3/h26H,6-25H2,1-5H3
- InChI Key
- LTIMIGIYNQWUGY-UHFFFAOYSA-N
- Formula
- C29H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C
)C(=O)OCCCC(C)C - Molecular Weight1
- 468.75
- 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 | 1.2354 | Relay (1.0) Calculated Property | |
| ΔfG° | -427.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1266.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.797 | Crippen Calculated Property | |
| McVol | 434.350 | ml/mol | McGowan Calculated Property |
| Pc | 636.08 | kPa | Joback Calculated Property |
| Inp | [2986.00; 2986.00] |
|
|
| Inp | 2986.00 | NIST | |
| Inp | 2986.00 | NIST | |
| Tboil | 649.68 | K | Relay (1.0) Calculated Property |
| Tc | 843.97 | K | Relay (1.0) Calculated Property |
| Tfus | 289.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.675 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.58; 1533.69] | 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 | 1.19000e+00 | |||
| Coefficient B | 2.78100e+00 | |||
| Coefficient C | -1.53960e-03 | |||
| Coefficient D | 2.91100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 651.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 805.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 942.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1065.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1173.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1268.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1351.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1422.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1482.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1533.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004633; 0.0000136] | Pa×s | [488.67; 843.85] |
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 | -1.60649e+01 | |||
| Coefficient B | 4.09888e+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. | 488.67 | |||
| Temperature range, max. | 843.85 | |||
| η | 0.0004633 | Pa×s | 488.67 | Calculated Property |
| η | 0.0002476 | Pa×s | 528.13 | Calculated Property |
| η | 0.0001443 | Pa×s | 567.60 | Calculated Property |
| η | 0.0000903 | Pa×s | 607.06 | Calculated Property |
| η | 0.0000598 | Pa×s | 646.53 | Calculated Property |
| η | 0.0000415 | Pa×s | 685.99 | Calculated Property |
| η | 0.0000300 | Pa×s | 725.46 | Calculated Property |
| η | 0.0000224 | Pa×s | 764.92 | Calculated Property |
| η | 0.0000172 | Pa×s | 804.39 | Calculated Property |
| η | 0.0000136 | Pa×s | 843.85 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl octadecyl ester.
Sources
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