- InChI
- InChI=1S/C19H28O4/c1-4-7-14-22-17(20)19(5-2,6-3)18(21)23-15-13-16-11-9-8-10-12-16/h8-12H,4-7,13-15H2,1-3H3
- InChI Key
- PCTBQWQMGIATHD-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)OCCc1c
cccc1 - Molecular Weight1
- 320.43
- 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 | 0.7995 | Relay (1.0) Calculated Property | |
| ΔfG° | -396.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.922 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1390.22 | kPa | Joback Calculated Property |
| Inp | 2059.00 | NIST | |
| Tboil | 618.28 | K | Relay (1.0) Calculated Property |
| Tc | 824.01 | K | Relay (1.0) Calculated Property |
| Tfus | 272.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.972 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.50; 898.72] | 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 | -2.19430e+01 | |||
| Coefficient B | 1.74616e+00 | |||
| Coefficient C | -1.02360e-03 | |||
| Coefficient D | 1.98100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 382.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 476.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 559.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 633.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 697.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 752.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 799.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 839.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 872.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 898.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012920; 0.0000688] | Pa×s | [417.39; 682.21] |
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 | -1.42053e+01 | |||
| Coefficient B | 3.15288e+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. | 417.39 | |||
| Temperature range, max. | 682.21 | |||
| η | 0.0012920 | Pa×s | 417.39 | Calculated Property |
| η | 0.0007857 | Pa×s | 446.81 | Calculated Property |
| η | 0.0005080 | Pa×s | 476.24 | Calculated Property |
| η | 0.0003456 | Pa×s | 505.66 | Calculated Property |
| η | 0.0002453 | Pa×s | 535.09 | Calculated Property |
| η | 0.0001804 | Pa×s | 564.51 | Calculated Property |
| η | 0.0001368 | Pa×s | 593.94 | Calculated Property |
| η | 0.0001065 | Pa×s | 623.36 | Calculated Property |
| η | 0.0000848 | Pa×s | 652.79 | Calculated Property |
| η | 0.0000688 | Pa×s | 682.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl phenethyl ester.
Sources
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