- InChI
- InChI=1S/C28H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31-26(29)28(4,5)27(30)32-24-21-22-25(2)3/h25H,6-24H2,1-5H3
- InChI Key
- GJWSHHFGGQZXAA-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)
C(=O)OCCCC(C)C - Molecular Weight1
- 454.73
- 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 | 1.2002 | Relay (1.0) Calculated Property | |
| ΔfG° | -435.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1246.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.407 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 668.04 | kPa | Joback Calculated Property |
| Inp | [2866.00; 2866.00] |
|
|
| Inp | 2866.00 | NIST | |
| Inp | 2866.00 | NIST | |
| Tboil | 642.98 | K | Relay (1.0) Calculated Property |
| Tc | 837.17 | K | Relay (1.0) Calculated Property |
| Tfus | 287.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.620 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [630.37; 1482.10] | 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 | 2.09900e+00 | |||
| Coefficient B | 2.68600e+00 | |||
| Coefficient C | -1.48520e-03 | |||
| Coefficient D | 2.79200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 630.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 778.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 911.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1030.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1134.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1226.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1306.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1374.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1433.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1482.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005489; 0.0000164] | Pa×s | [477.40; 821.16] |
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 | -1.58963e+01 | |||
| Coefficient B | 4.00472e+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. | 477.40 | |||
| Temperature range, max. | 821.16 | |||
| η | 0.0005489 | Pa×s | 477.40 | Calculated Property |
| η | 0.0002948 | Pa×s | 515.60 | Calculated Property |
| η | 0.0001726 | Pa×s | 553.79 | Calculated Property |
| η | 0.0001082 | Pa×s | 591.99 | Calculated Property |
| η | 0.0000718 | Pa×s | 630.18 | Calculated Property |
| η | 0.0000499 | Pa×s | 668.38 | Calculated Property |
| η | 0.0000361 | Pa×s | 706.57 | Calculated Property |
| η | 0.0000270 | Pa×s | 744.77 | Calculated Property |
| η | 0.0000208 | Pa×s | 782.96 | Calculated Property |
| η | 0.0000164 | Pa×s | 821.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptadecyl isohexyl ester.
Sources
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