- InChI
- InChI=1S/C18H26O5/c1-4-5-6-9-14(2)22-17(19)12-13-18(20)23-16-11-8-7-10-15(16)21-3/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3
- InChI Key
- WFTYARZCXULILM-UHFFFAOYSA-N
- Formula
- C18H26O5
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)Oc1ccccc
1OC - Molecular Weight1
- 322.40
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -919.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.31 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.893 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Inp | [2262.00; 2262.00] |
|
|
| Inp | 2262.00 | NIST | |
| Inp | 2262.00 | NIST | |
| Tboil | 615.17 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [380.39; 861.66] | 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 | 4.15560e+01 | |||
| Coefficient B | 1.40856e+00 | |||
| Coefficient C | -6.22560e-04 | |||
| Coefficient D | 3.41000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 380.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 463.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 538.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 606.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 667.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 720.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 766.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 805.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 836.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 861.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009300; 0.0000663] | Pa×s | [423.45; 685.28] |
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 | -1.38922e+01 | |||
| Coefficient B | 2.92683e+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. | 423.45 | |||
| Temperature range, max. | 685.28 | |||
| η | 0.0009300 | Pa×s | 423.45 | Calculated Property |
| η | 0.0005964 | Pa×s | 452.54 | Calculated Property |
| η | 0.0004035 | Pa×s | 481.63 | Calculated Property |
| η | 0.0002854 | Pa×s | 510.73 | Calculated Property |
| η | 0.0002096 | Pa×s | 539.82 | Calculated Property |
| η | 0.0001588 | Pa×s | 568.91 | Calculated Property |
| η | 0.0001237 | Pa×s | 598.00 | Calculated Property |
| η | 0.0000986 | Pa×s | 627.09 | Calculated Property |
| η | 0.0000801 | Pa×s | 656.19 | Calculated Property |
| η | 0.0000663 | Pa×s | 685.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 2-methoxyphenyl 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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