- InChI
- InChI=1S/C17H24O4/c1-2-13-20-16(18)11-6-12-17(19)21-14-7-10-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3
- InChI Key
- WIMIGYJMMVCDMB-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
- CCCOC(=O)CCCC(=O)OCCCc1ccccc1
- Molecular Weight1
- 292.37
- 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 | 0.8497 | Relay (1.0) Calculated Property | |
| ΔfG° | -416.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.286 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1588.54 | kPa | Joback Calculated Property |
| Inp | [2230.00; 2230.00] |
|
|
| Inp | 2230.00 | NIST | |
| Inp | 2230.00 | NIST | |
| Tboil | 629.39 | K | Relay (1.0) Calculated Property |
| Tc | 804.14 | K | Relay (1.0) Calculated Property |
| Tfus | 267.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.911 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.53; 794.07] | 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 | 4.34800e+00 | |||
| Coefficient B | 1.43032e+00 | |||
| Coefficient C | -7.43000e-04 | |||
| Coefficient D | 1.02400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 341.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 421.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 494.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 558.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 614.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 663.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 706.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 741.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 770.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 794.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016229; 0.0001045] | Pa×s | [392.43; 648.86] |
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 | -1.33650e+01 | |||
| Coefficient B | 2.72402e+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. | 392.43 | |||
| Temperature range, max. | 648.86 | |||
| η | 0.0016229 | Pa×s | 392.43 | Calculated Property |
| η | 0.0010145 | Pa×s | 420.92 | Calculated Property |
| η | 0.0006730 | Pa×s | 449.41 | Calculated Property |
| η | 0.0004689 | Pa×s | 477.91 | Calculated Property |
| η | 0.0003403 | Pa×s | 506.40 | Calculated Property |
| η | 0.0002555 | Pa×s | 534.89 | Calculated Property |
| η | 0.0001975 | Pa×s | 563.38 | Calculated Property |
| η | 0.0001565 | Pa×s | 591.87 | Calculated Property |
| η | 0.0001267 | Pa×s | 620.37 | Calculated Property |
| η | 0.0001045 | Pa×s | 648.86 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-phenylpropyl propyl ester.
Sources
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