- InChI
- InChI=1S/C23H42O4/c1-3-5-7-8-9-10-11-12-13-14-16-21-27-23(25)19-17-18-22(24)26-20-15-6-4-2/h4H,2-3,5-21H2,1H3
- InChI Key
- KBIAUVXVTUYDRQ-UHFFFAOYSA-N
- Formula
- C23H42O4
- SMILES
-
C=CCCCOC(=O)CCCC(=O)OCCCCCCCCC
CCCC - Molecular Weight1
- 382.58
- 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 | 1.1072 | Relay (1.0) Calculated Property | |
| ΔfG° | -390.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1031.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.520 | Crippen Calculated Property | |
| McVol | 345.510 | ml/mol | McGowan Calculated Property |
| Pc | 878.44 | kPa | Joback Calculated Property |
| Inp | [2709.00; 2709.00] |
|
|
| Inp | 2709.00 | NIST | |
| Inp | 2709.00 | NIST | |
| Tboil | 662.13 | K | Relay (1.0) Calculated Property |
| Tc | 815.97 | K | Relay (1.0) Calculated Property |
| Tfus | 284.39 | 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 | [516.26; 1193.63] | 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 | 2.98080e+01 | |||
| Coefficient B | 2.05922e+00 | |||
| Coefficient C | -1.06110e-03 | |||
| Coefficient D | 1.65700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 516.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 632.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 737.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 831.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 915.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 988.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1052.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1108.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1154.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1193.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010265; 0.0000537] | Pa×s | [431.87; 719.04] |
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 | -1.42690e+01 | |||
| Coefficient B | 3.19040e+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. | 431.87 | |||
| Temperature range, max. | 719.04 | |||
| η | 0.0010265 | Pa×s | 431.87 | Calculated Property |
| η | 0.0006175 | Pa×s | 463.78 | Calculated Property |
| η | 0.0003965 | Pa×s | 495.69 | Calculated Property |
| η | 0.0002687 | Pa×s | 527.59 | Calculated Property |
| η | 0.0001903 | Pa×s | 559.50 | Calculated Property |
| η | 0.0001399 | Pa×s | 591.41 | Calculated Property |
| η | 0.0001062 | Pa×s | 623.32 | Calculated Property |
| η | 0.0000827 | Pa×s | 655.22 | Calculated Property |
| η | 0.0000660 | Pa×s | 687.13 | Calculated Property |
| η | 0.0000537 | Pa×s | 719.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, pent-4-enyl tridecyl ester.
Sources
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