- InChI
- InChI=1S/C18H34O4/c1-6-7-8-9-10-13-21-16(19)18(4,5)17(20)22-14-11-12-15(2)3/h15H,6-14H2,1-5H3
- InChI Key
- KQUJGBIKGZBJIV-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCCCCCCOC(=O)C(C)(C)C(=O)OCCCC
(C)C - Molecular Weight1
- 314.46
- 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 | 0.8446 | Relay (1.0) Calculated Property | |
| ΔfG° | -519.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1049.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.506 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1181.71 | kPa | Joback Calculated Property |
| Inp | [1886.00; 1886.00] |
|
|
| Inp | 1886.00 | NIST | |
| Inp | 1886.00 | NIST | |
| Tboil | 567.65 | K | Relay (1.0) Calculated Property |
| Tc | 758.07 | K | Relay (1.0) Calculated Property |
| Tfus | 244.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.068 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.23; 966.19] | 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 | 1.11890e+01 | |||
| Coefficient B | 1.73600e+00 | |||
| Coefficient C | -9.41200e-04 | |||
| Coefficient D | 1.60200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 418.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 514.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 600.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 677.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 745.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 804.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 855.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 899.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 936.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 966.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028057; 0.0000802] | Pa×s | [364.70; 632.28] |
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 | -1.42751e+01 | |||
| Coefficient B | 3.06312e+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. | 364.70 | |||
| Temperature range, max. | 632.28 | |||
| η | 0.0028057 | Pa×s | 364.70 | Calculated Property |
| η | 0.0014897 | Pa×s | 394.43 | Calculated Property |
| η | 0.0008643 | Pa×s | 424.16 | Calculated Property |
| η | 0.0005386 | Pa×s | 453.89 | Calculated Property |
| η | 0.0003557 | Pa×s | 483.62 | Calculated Property |
| η | 0.0002465 | Pa×s | 513.36 | Calculated Property |
| η | 0.0001778 | Pa×s | 543.09 | Calculated Property |
| η | 0.0001327 | Pa×s | 572.82 | Calculated Property |
| η | 0.0001019 | Pa×s | 602.55 | Calculated Property |
| η | 0.0000802 | Pa×s | 632.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptyl isohexyl ester.
Sources
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