- InChI
- InChI=1S/C22H28O4/c1-3-4-5-8-17(2)26-22(24)14-13-21(23)25-16-18-11-12-19-9-6-7-10-20(19)15-18/h6-7,9-12,15,17H,3-5,8,13-14,16H2,1-2H3
- InChI Key
- UPRRSQWMVFTVPW-UHFFFAOYSA-N
- Formula
- C22H28O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OCc1ccc2
ccccc2c1 - Molecular Weight1
- 356.46
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9244 | Relay (1.0) Calculated Property | |
| ΔfusH° | 48.62 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 5.175 | Crippen Calculated Property | |
| McVol | 292.500 | ml/mol | McGowan Calculated Property |
| Pc | 1321.35 | kPa | Joback Calculated Property |
| Inp | [2796.00; 2796.00] |
|
|
| Inp | 2796.00 | NIST | |
| Inp | 2796.00 | NIST | |
| Tboil | 681.86 | K | Relay (1.0) Calculated Property |
| Tc | 913.82 | K | Relay (1.0) Calculated Property |
| Tfus | 315.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.079 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 | [408.84; 958.74] | 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 | -1.90230e+01 | |||
| Coefficient B | 1.84804e+00 | |||
| Coefficient C | -1.08788e-03 | |||
| Coefficient D | 2.17600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 408.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 508.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 596.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 674.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 742.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 800.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 851.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 893.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 929.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 958.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008594; 0.0000945] | Pa×s | [479.00; 756.26] |
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 | -1.30798e+01 | |||
| Coefficient B | 2.88382e+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. | 479.00 | |||
| Temperature range, max. | 756.26 | |||
| η | 0.0008594 | Pa×s | 479.00 | Calculated Property |
| η | 0.0005973 | Pa×s | 509.81 | Calculated Property |
| η | 0.0004327 | Pa×s | 540.61 | Calculated Property |
| η | 0.0003246 | Pa×s | 571.42 | Calculated Property |
| η | 0.0002507 | Pa×s | 602.23 | Calculated Property |
| η | 0.0001986 | Pa×s | 633.04 | Calculated Property |
| η | 0.0001608 | Pa×s | 663.84 | Calculated Property |
| η | 0.0001326 | Pa×s | 694.65 | Calculated Property |
| η | 0.0001112 | Pa×s | 725.46 | Calculated Property |
| η | 0.0000945 | Pa×s | 756.26 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 2-naphthylmethyl ester.
Sources
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