- InChI
- InChI=1S/C20H30O4/c1-3-23-19(21)14-8-6-4-5-7-9-15-20(22)24-16-18-13-11-10-12-17(18)2/h10-13H,3-9,14-16H2,1-2H3
- InChI Key
- XVCNNQWXKOYVEW-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)OCc1ccccc
1C - Molecular Weight1
- 334.46
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 | 0.9523 | Relay (1.0) Calculated Property | |
| ΔfG° | -400.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -830.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.66 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.722 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1264.65 | kPa | Joback Calculated Property |
| Inp | [2471.00; 2471.00] |
|
|
| Inp | 2471.00 | NIST | |
| Inp | 2471.00 | NIST | |
| Tboil | 633.05 | K | Relay (1.0) Calculated Property |
| Tc | 835.82 | K | Relay (1.0) Calculated Property |
| Tfus | 295.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.067 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.73; 945.80] | 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 | 1.59200e+01 | |||
| Coefficient B | 1.65584e+00 | |||
| Coefficient C | -8.39160e-04 | |||
| Coefficient D | 1.13200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 407.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 501.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 586.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 661.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 728.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 787.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 838.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 881.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 916.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 945.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009137; 0.0000739] | Pa×s | [438.76; 700.08] |
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 | -1.37335e+01 | |||
| Coefficient B | 2.95524e+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. | 438.76 | |||
| Temperature range, max. | 700.08 | |||
| η | 0.0009137 | Pa×s | 438.76 | Calculated Property |
| η | 0.0006015 | Pa×s | 467.80 | Calculated Property |
| η | 0.0004158 | Pa×s | 496.83 | Calculated Property |
| η | 0.0002994 | Pa×s | 525.87 | Calculated Property |
| η | 0.0002231 | Pa×s | 554.90 | Calculated Property |
| η | 0.0001712 | Pa×s | 583.94 | Calculated Property |
| η | 0.0001347 | Pa×s | 612.97 | Calculated Property |
| η | 0.0001083 | Pa×s | 642.01 | Calculated Property |
| η | 0.0000888 | Pa×s | 671.05 | Calculated Property |
| η | 0.0000739 | Pa×s | 700.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, ethyl 2-methylbenzyl ester.
Sources
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