- InChI
- InChI=1S/C18H26O4/c1-2-3-7-14-21-17(19)11-8-12-18(20)22-15-13-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3
- InChI Key
- BMKQGYWBULHUBB-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
- CCCCCOC(=O)CCCC(=O)OCCc1ccccc1
- Molecular Weight1
- 306.40
- 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 | 0.8905 | Relay (1.0) Calculated Property | |
| ΔfG° | -407.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.676 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1473.62 | kPa | Joback Calculated Property |
| Inp | [2317.00; 2317.00] |
|
|
| Inp | 2317.00 | NIST | |
| Inp | 2317.00 | NIST | |
| Tboil | 632.01 | K | Relay (1.0) Calculated Property |
| Tc | 815.66 | K | Relay (1.0) Calculated Property |
| Tfus | 262.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.962 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.75; 845.66] | 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 | 3.43900e+00 | |||
| Coefficient B | 1.52532e+00 | |||
| Coefficient C | -7.97400e-04 | |||
| Coefficient D | 1.14300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 362.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 448.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 525.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 593.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 653.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 706.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 751.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 789.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 820.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 845.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014500; 0.0000938] | Pa×s | [403.70; 664.18] |
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 | -1.35171e+01 | |||
| Coefficient B | 2.81818e+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. | 403.70 | |||
| Temperature range, max. | 664.18 | |||
| η | 0.0014500 | Pa×s | 403.70 | Calculated Property |
| η | 0.0009090 | Pa×s | 432.64 | Calculated Property |
| η | 0.0006042 | Pa×s | 461.58 | Calculated Property |
| η | 0.0004214 | Pa×s | 490.53 | Calculated Property |
| η | 0.0003060 | Pa×s | 519.47 | Calculated Property |
| η | 0.0002298 | Pa×s | 548.41 | Calculated Property |
| η | 0.0001776 | Pa×s | 577.35 | Calculated Property |
| η | 0.0001407 | Pa×s | 606.29 | Calculated Property |
| η | 0.0001138 | Pa×s | 635.24 | Calculated Property |
| η | 0.0000938 | Pa×s | 664.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, pentyl phenethyl ester.
Sources
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