- InChI
- InChI=1S/C22H42O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-26-22(24)19-17-18-21(23)25-4-2/h3-20H2,1-2H3
- InChI Key
- KKDCUIAJRSECAK-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCC(=O)O
CC - Molecular Weight1
- 370.57
- 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 | 1.1054 | Relay (1.0) Calculated Property | |
| ΔfG° | -486.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1112.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.354 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 907.24 | kPa | Joback Calculated Property |
| Inp | [2631.00; 2631.00] |
|
|
| Inp | 2631.00 | NIST | |
| Inp | 2631.00 | NIST | |
| Tboil | 628.56 | K | Relay (1.0) Calculated Property |
| Tc | 801.35 | K | Relay (1.0) Calculated Property |
| Tfus | 293.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.315 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.86; 1170.55] | 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 | 3.37080e+01 | |||
| Coefficient B | 1.98424e+00 | |||
| Coefficient C | -9.83800e-04 | |||
| Coefficient D | 1.36400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 504.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 618.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 721.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 813.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 895.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 968.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1031.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1086.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1132.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1170.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011664; 0.0000590] | Pa×s | [422.36; 702.50] |
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 | -1.42389e+01 | |||
| Coefficient B | 3.16140e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 422.36 | |||
| Temperature range, max. | 702.50 | |||
| η | 0.0011664 | Pa×s | 422.36 | Calculated Property |
| η | 0.0006978 | Pa×s | 453.49 | Calculated Property |
| η | 0.0004459 | Pa×s | 484.61 | Calculated Property |
| η | 0.0003008 | Pa×s | 515.74 | Calculated Property |
| η | 0.0002122 | Pa×s | 546.87 | Calculated Property |
| η | 0.0001554 | Pa×s | 577.99 | Calculated Property |
| η | 0.0001175 | Pa×s | 609.12 | Calculated Property |
| η | 0.0000913 | Pa×s | 640.25 | Calculated Property |
| η | 0.0000726 | Pa×s | 671.37 | Calculated Property |
| η | 0.0000590 | Pa×s | 702.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl pentadecyl ester.
Sources
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