- InChI
- InChI=1S/C19H36O4/c1-6-7-8-9-10-11-14-22-17(20)19(4,5)18(21)23-15-12-13-16(2)3/h16H,6-15H2,1-5H3
- InChI Key
- NKGZCOFGPVRLNV-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCCCCCCCOC(=O)C(C)(C)C(=O)OCCC
C(C)C - Molecular Weight1
- 328.49
- 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 | 0.8806 | Relay (1.0) Calculated Property | |
| ΔfG° | -511.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1068.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.896 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Pc | 1107.42 | kPa | Joback Calculated Property |
| Inp | [1985.00; 1985.00] |
|
|
| Inp | 1985.00 | NIST | |
| Inp | 1985.00 | NIST | |
| Tboil | 576.53 | K | Relay (1.0) Calculated Property |
| Tc | 767.50 | K | Relay (1.0) Calculated Property |
| Tfus | 250.01 | K | Relay (1.0) Calculated Property |
| Vc | 1.124 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.44; 1017.78] | 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 | 1.02800e+01 | |||
| Coefficient B | 1.83100e+00 | |||
| Coefficient C | -9.95600e-04 | |||
| Coefficient D | 1.72100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 439.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 541.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 632.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 713.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 784.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 846.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 900.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 947.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 985.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1017.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023988; 0.0000702] | Pa×s | [375.97; 648.80] |
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 | -1.44305e+01 | |||
| Coefficient B | 3.15728e+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. | 375.97 | |||
| Temperature range, max. | 648.80 | |||
| η | 0.0023988 | Pa×s | 375.97 | Calculated Property |
| η | 0.0012820 | Pa×s | 406.28 | Calculated Property |
| η | 0.0007474 | Pa×s | 436.60 | Calculated Property |
| η | 0.0004673 | Pa×s | 466.91 | Calculated Property |
| η | 0.0003095 | Pa×s | 497.23 | Calculated Property |
| η | 0.0002149 | Pa×s | 527.54 | Calculated Property |
| η | 0.0001552 | Pa×s | 557.85 | Calculated Property |
| η | 0.0001159 | Pa×s | 588.17 | Calculated Property |
| η | 0.0000891 | Pa×s | 618.48 | Calculated Property |
| η | 0.0000702 | Pa×s | 648.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl octyl ester.
Sources
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