- InChI
- InChI=1S/C22H42O4/c1-5-7-9-10-11-13-16-20(4)26-22(24)18-14-17-21(23)25-19(3)15-12-8-6-2/h19-20H,5-18H2,1-4H3
- InChI Key
- HPZAGKARIVDANU-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OC(C
)CCCCC - 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 | 1.0346 | Relay (1.0) Calculated Property | |
| ΔfG° | -491.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1154.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.351 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 916.05 | kPa | Joback Calculated Property |
| Inp | [2319.00; 2319.00] |
|
|
| Inp | 2319.00 | NIST | |
| Inp | 2319.00 | NIST | |
| Tboil | 608.95 | K | Relay (1.0) Calculated Property |
| Tc | 793.68 | K | Relay (1.0) Calculated Property |
| Tfus | 263.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.296 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.23; 1171.62] | 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 | 3.03440e+01 | |||
| Coefficient B | 1.99608e+00 | |||
| Coefficient C | -9.90200e-04 | |||
| Coefficient D | 1.35400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 504.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 618.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 721.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 814.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 897.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 969.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1033.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1087.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1133.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1171.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019174; 0.0000503] | Pa×s | [392.36; 702.38] |
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 | -1.45069e+01 | |||
| Coefficient B | 3.23704e+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. | 392.36 | |||
| Temperature range, max. | 702.38 | |||
| η | 0.0019174 | Pa×s | 392.36 | Calculated Property |
| η | 0.0009852 | Pa×s | 426.81 | Calculated Property |
| η | 0.0005592 | Pa×s | 461.25 | Calculated Property |
| η | 0.0003434 | Pa×s | 495.70 | Calculated Property |
| η | 0.0002246 | Pa×s | 530.15 | Calculated Property |
| η | 0.0001548 | Pa×s | 564.59 | Calculated Property |
| η | 0.0001113 | Pa×s | 599.04 | Calculated Property |
| η | 0.0000830 | Pa×s | 633.48 | Calculated Property |
| η | 0.0000637 | Pa×s | 667.93 | Calculated Property |
| η | 0.0000503 | Pa×s | 702.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 2-decyl ester.
Sources
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