- InChI
- InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-9-10-13-20-30-26(28)18-19-27(29)31-22-23-16-17-24-14-11-12-15-25(24)21-23/h10-17,21H,2-9,18-20,22H2,1H3/b13-10+
- InChI Key
- BRPKKROVUKGCRJ-JLHYYAGUSA-N
- Formula
- C27H36O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)OCc1
ccc2ccccc2c1 - Molecular Weight1
- 424.57
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.0820 | Relay (1.0) Calculated Property | |
| ΔfusH° | 65.30 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 6.903 | Crippen Calculated Property | |
| McVol | 358.650 | ml/mol | McGowan Calculated Property |
| Pc | 984.55 | kPa | Joback Calculated Property |
| Inp | [3421.00; 3421.00] |
|
|
| Inp | 3421.00 | NIST | |
| Inp | 3421.00 | NIST | |
| Tboil | 726.55 | K | Relay (1.0) Calculated Property |
| Tc | 953.28 | K | Relay (1.0) Calculated Property |
| Tfus | 311.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.306 | 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 | [501.22; 1185.57] | 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 | -3.60680e+01 | |||
| Coefficient B | 2.33712e+00 | |||
| Coefficient C | -1.44048e-03 | |||
| Coefficient D | 3.25000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 501.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 624.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 734.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 830.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 914.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 986.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1049.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1102.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1147.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1185.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004046; 0.0000469] | Pa×s | [545.27; 847.61] |
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 | -1.38519e+01 | |||
| Coefficient B | 3.29304e+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. | 545.27 | |||
| Temperature range, max. | 847.61 | |||
| η | 0.0004046 | Pa×s | 545.27 | Calculated Property |
| η | 0.0002850 | Pa×s | 578.86 | Calculated Property |
| η | 0.0002086 | Pa×s | 612.46 | Calculated Property |
| η | 0.0001577 | Pa×s | 646.05 | Calculated Property |
| η | 0.0001226 | Pa×s | 679.64 | Calculated Property |
| η | 0.0000976 | Pa×s | 713.24 | Calculated Property |
| η | 0.0000793 | Pa×s | 746.83 | Calculated Property |
| η | 0.0000656 | Pa×s | 780.43 | Calculated Property |
| η | 0.0000551 | Pa×s | 814.02 | Calculated Property |
| η | 0.0000469 | Pa×s | 847.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 2-naphthylmethyl ester.
Sources
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