- InChI
- InChI=1S/C26H36O4/c1-3-4-5-6-7-8-12-21(2)30-26(28)16-11-15-25(27)29-20-22-17-18-23-13-9-10-14-24(23)19-22/h9-10,13-14,17-19,21H,3-8,11-12,15-16,20H2,1-2H3
- InChI Key
- JYTJXNSSKOSNOV-UHFFFAOYSA-N
- Formula
- C26H36O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OCc1
ccc2ccccc2c1 - Molecular Weight1
- 412.56
- 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 | 1.0894 | Relay (1.0) Calculated Property | |
| ΔfusH° | 58.98 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 6.736 | Crippen Calculated Property | |
| McVol | 348.860 | ml/mol | McGowan Calculated Property |
| Pc | 1017.48 | kPa | Joback Calculated Property |
| Inp | [3172.00; 3172.00] |
|
|
| Inp | 3172.00 | NIST | |
| Inp | 3172.00 | NIST | |
| Tboil | 715.41 | K | Relay (1.0) Calculated Property |
| Tc | 941.67 | K | Relay (1.0) Calculated Property |
| Tfus | 314.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.296 | 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 | [493.70; 1165.10] | 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 | -2.26590e+01 | |||
| Coefficient B | 2.22804e+00 | |||
| Coefficient C | -1.30548e-03 | |||
| Coefficient D | 2.65200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 493.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 613.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 720.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 815.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 897.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 969.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1031.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1084.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1128.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1165.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005485; 0.0000568] | Pa×s | [524.08; 824.81] |
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 | -1.37296e+01 | |||
| Coefficient B | 3.26046e+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. | 524.08 | |||
| Temperature range, max. | 824.81 | |||
| η | 0.0005485 | Pa×s | 524.08 | Calculated Property |
| η | 0.0003778 | Pa×s | 557.49 | Calculated Property |
| η | 0.0002714 | Pa×s | 590.91 | Calculated Property |
| η | 0.0002020 | Pa×s | 624.32 | Calculated Property |
| η | 0.0001549 | Pa×s | 657.74 | Calculated Property |
| η | 0.0001219 | Pa×s | 691.15 | Calculated Property |
| η | 0.0000981 | Pa×s | 724.57 | Calculated Property |
| η | 0.0000804 | Pa×s | 757.98 | Calculated Property |
| η | 0.0000671 | Pa×s | 791.40 | Calculated Property |
| η | 0.0000568 | Pa×s | 824.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-2-yl (2-naphthyl)methyl ester.
Sources
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