- InChI
- InChI=1S/C22H40O4/c1-3-5-7-8-13-16-20-26-22(24)18-15-12-10-9-11-14-17-21(23)25-19-6-4-2/h4H,2-3,5-20H2,1H3
- InChI Key
- ZVTMFHJASTZZKZ-UHFFFAOYSA-N
- Formula
- C22H40O4
- SMILES
-
C=CCCOC(=O)CCCCCCCCC(=O)OCCCCC
CCC - Molecular Weight1
- 368.56
- 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).
- IE : Ionization energy (eV).
- 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 | 1.0716 | Relay (1.0) Calculated Property | |
| ΔfG° | -398.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1003.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.130 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Pc | 930.64 | kPa | Joback Calculated Property |
| Inp | 2567.00 | NIST | |
| Tboil | 648.84 | K | Relay (1.0) Calculated Property |
| Tc | 807.08 | K | Relay (1.0) Calculated Property |
| Tfus | 273.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.260 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.05; 1142.04] | 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 | 3.07170e+01 | |||
| Coefficient B | 1.96422e+00 | |||
| Coefficient C | -1.00670e-03 | |||
| Coefficient D | 1.53800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 495.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 606.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 706.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 796.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 876.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 946.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1007.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1060.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1105.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1142.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011757; 0.0000623] | Pa×s | [420.60; 699.99] |
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 | -1.41074e+01 | |||
| Coefficient B | 3.09624e+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. | 420.60 | |||
| Temperature range, max. | 699.99 | |||
| η | 0.0011757 | Pa×s | 420.60 | Calculated Property |
| η | 0.0007088 | Pa×s | 451.64 | Calculated Property |
| η | 0.0004561 | Pa×s | 482.69 | Calculated Property |
| η | 0.0003095 | Pa×s | 513.73 | Calculated Property |
| η | 0.0002196 | Pa×s | 544.77 | Calculated Property |
| η | 0.0001616 | Pa×s | 575.82 | Calculated Property |
| η | 0.0001228 | Pa×s | 606.86 | Calculated Property |
| η | 0.0000958 | Pa×s | 637.90 | Calculated Property |
| η | 0.0000765 | Pa×s | 668.95 | Calculated Property |
| η | 0.0000623 | Pa×s | 699.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, but-3-enyl octyl ester.
Sources
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