- InChI
- InChI=1S/C19H26O5/c1-4-5-6-7-14(2)23-18(21)12-13-19(22)24-17-10-8-16(9-11-17)15(3)20/h8-11,14H,4-7,12-13H2,1-3H3
- InChI Key
- DLAJRXXVRCSIPB-UHFFFAOYSA-N
- Formula
- C19H26O5
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)Oc1ccc(C
(C)=O)cc1 - Molecular Weight1
- 334.41
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -962.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.21 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.087 | Crippen Calculated Property | |
| McVol | 271.260 | ml/mol | McGowan Calculated Property |
| Inp | [2535.00; 2535.00] |
|
|
| Inp | 2535.00 | NIST | |
| Inp | 2535.00 | NIST | |
| Tboil | 630.88 | K | Relay (1.0) Calculated Property |
| Tfus | 322.67 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.12; 883.77] | 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 | 2.25060e+01 | |||
| Coefficient B | 1.53876e+00 | |||
| Coefficient C | -7.69260e-04 | |||
| Coefficient D | 9.17600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 387.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 474.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 553.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 623.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 685.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 740.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 786.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 825.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 858.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 883.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008954; 0.0000749] | Pa×s | [462.42; 728.07] |
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 | -1.38196e+01 | |||
| Coefficient B | 3.14509e+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. | 462.42 | |||
| Temperature range, max. | 728.07 | |||
| η | 0.0008954 | Pa×s | 462.42 | Calculated Property |
| η | 0.0005954 | Pa×s | 491.94 | Calculated Property |
| η | 0.0004146 | Pa×s | 521.45 | Calculated Property |
| η | 0.0003001 | Pa×s | 550.97 | Calculated Property |
| η | 0.0002245 | Pa×s | 580.49 | Calculated Property |
| η | 0.0001727 | Pa×s | 610.00 | Calculated Property |
| η | 0.0001362 | Pa×s | 639.52 | Calculated Property |
| η | 0.0001096 | Pa×s | 669.03 | Calculated Property |
| η | 0.0000899 | Pa×s | 698.55 | Calculated Property |
| η | 0.0000749 | Pa×s | 728.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 4-acetylphenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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