- InChI
- InChI=1S/C17H24O4/c1-3-4-7-12-20-16(18)10-11-17(19)21-13-15-9-6-5-8-14(15)2/h5-6,8-9H,3-4,7,10-13H2,1-2H3
- InChI Key
- UOLMWVQLOGLBTA-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
- CCCCCOC(=O)CCC(=O)OCc1ccccc1C
- 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).
- 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 | 0.8321 | Relay (1.0) Calculated Property | |
| ΔfG° | -425.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -758.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.67 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -4.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.552 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1569.72 | kPa | Joback Calculated Property |
| Inp | [2143.00; 2143.00] |
|
|
| Inp | 2143.00 | NIST | |
| Inp | 2143.00 | NIST | |
| Tboil | 611.18 | K | Relay (1.0) Calculated Property |
| Tc | 809.25 | K | Relay (1.0) Calculated Property |
| Tfus | 278.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.901 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.08; 791.03] | 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 | 1.86470e+01 | |||
| Coefficient B | 1.37084e+00 | |||
| Coefficient C | -6.75960e-04 | |||
| Coefficient D | 7.75000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 344.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 422.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 493.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 556.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 612.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 660.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 702.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 738.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 767.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 791.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012675; 0.0001033] | Pa×s | [404.95; 652.92] |
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 | -1.32710e+01 | |||
| Coefficient B | 2.67276e+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. | 404.95 | |||
| Temperature range, max. | 652.92 | |||
| η | 0.0012675 | Pa×s | 404.95 | Calculated Property |
| η | 0.0008324 | Pa×s | 432.50 | Calculated Property |
| η | 0.0005749 | Pa×s | 460.05 | Calculated Property |
| η | 0.0004140 | Pa×s | 487.61 | Calculated Property |
| η | 0.0003088 | Pa×s | 515.16 | Calculated Property |
| η | 0.0002373 | Pa×s | 542.71 | Calculated Property |
| η | 0.0001871 | Pa×s | 570.26 | Calculated Property |
| η | 0.0001507 | Pa×s | 597.82 | Calculated Property |
| η | 0.0001238 | Pa×s | 625.37 | Calculated Property |
| η | 0.0001033 | Pa×s | 652.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-methylbenzyl pentyl ester.
Sources
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