- InChI
- InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-24-31-27(29)22-17-23-28(30)32-25-18-21-26-19-14-13-15-20-26/h13-15,19-20H,2-12,16-18,21-25H2,1H3
- InChI Key
- GEBQGWWWCNEPEY-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCC(=O)OC
CCc1ccccc1 - Molecular Weight1
- 446.66
- 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 | 1.2526 | Relay (1.0) Calculated Property | |
| ΔfG° | -323.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -990.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.577 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 786.83 | kPa | Joback Calculated Property |
| Inp | [3400.00; 3400.00] |
|
|
| Inp | 3400.00 | NIST | |
| Inp | 3400.00 | NIST | |
| Tboil | 703.93 | K | Relay (1.0) Calculated Property |
| Tc | 887.95 | K | Relay (1.0) Calculated Property |
| Tfus | 302.94 | K | Relay (1.0) Calculated Property |
| Vc | 1.508 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.88; 1361.57] | 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 | -5.65100e+00 | |||
| Coefficient B | 2.47532e+00 | |||
| Coefficient C | -1.34140e-03 | |||
| Coefficient D | 2.33300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 574.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 712.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 835.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 945.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1042.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1127.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1201.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1264.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1317.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1361.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003900; 0.0000230] | Pa×s | [516.40; 844.58] |
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 | -1.51302e+01 | |||
| Coefficient B | 3.75978e+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. | 516.40 | |||
| Temperature range, max. | 844.58 | |||
| η | 0.0003900 | Pa×s | 516.40 | Calculated Property |
| η | 0.0002413 | Pa×s | 552.86 | Calculated Property |
| η | 0.0001584 | Pa×s | 589.33 | Calculated Property |
| η | 0.0001092 | Pa×s | 625.79 | Calculated Property |
| η | 0.0000785 | Pa×s | 662.26 | Calculated Property |
| η | 0.0000583 | Pa×s | 698.72 | Calculated Property |
| η | 0.0000447 | Pa×s | 735.18 | Calculated Property |
| η | 0.0000351 | Pa×s | 771.65 | Calculated Property |
| η | 0.0000282 | Pa×s | 808.11 | Calculated Property |
| η | 0.0000230 | Pa×s | 844.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-phenylpropyl tetradecyl ester.
Sources
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