- InChI
- InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-30-26(28)20-17-21-27(29)31-24-22-25-18-14-13-15-19-25/h13-15,18-19H,2-12,16-17,20-24H2,1H3
- InChI Key
- RXBFHELSCGETJB-UHFFFAOYSA-N
- Formula
- C27H44O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCC(=O)OC
Cc1ccccc1 - Molecular Weight1
- 432.64
- 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 | 1.2176 | Relay (1.0) Calculated Property | |
| ΔfG° | -331.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -963.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.187 | Crippen Calculated Property | |
| McVol | 382.410 | ml/mol | McGowan Calculated Property |
| Pc | 830.98 | kPa | Joback Calculated Property |
| Inp | 3274.00 | NIST | |
| Tboil | 693.62 | K | Relay (1.0) Calculated Property |
| Tc | 882.10 | K | Relay (1.0) Calculated Property |
| Tfus | 295.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.454 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.67; 1309.98] | 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 | -4.74200e+00 | |||
| Coefficient B | 2.38032e+00 | |||
| Coefficient C | -1.28700e-03 | |||
| Coefficient D | 2.21400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 553.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 686.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 804.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 910.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1003.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1085.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1156.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1216.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1267.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1309.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004500; 0.0000272] | Pa×s | [505.13; 823.68] |
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 | -1.49631e+01 | |||
| Coefficient B | 3.66562e+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. | 505.13 | |||
| Temperature range, max. | 823.68 | |||
| η | 0.0004500 | Pa×s | 505.13 | Calculated Property |
| η | 0.0002798 | Pa×s | 540.52 | Calculated Property |
| η | 0.0001844 | Pa×s | 575.92 | Calculated Property |
| η | 0.0001276 | Pa×s | 611.31 | Calculated Property |
| η | 0.0000919 | Pa×s | 646.71 | Calculated Property |
| η | 0.0000685 | Pa×s | 682.10 | Calculated Property |
| η | 0.0000525 | Pa×s | 717.49 | Calculated Property |
| η | 0.0000413 | Pa×s | 752.89 | Calculated Property |
| η | 0.0000332 | Pa×s | 788.28 | Calculated Property |
| η | 0.0000272 | Pa×s | 823.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, phenethyl tetradecyl ester.
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