- InChI
- InChI=1S/C28H52O4/c1-3-5-7-8-9-10-11-12-13-16-19-22-26-32-28(30)24-21-18-15-14-17-20-23-27(29)31-25-6-4-2/h4H,2-3,5-26H2,1H3
- InChI Key
- JNPXKACTWMDULZ-UHFFFAOYSA-N
- Formula
- C28H52O4
- SMILES
-
C=CCCOC(=O)CCCCCCCCC(=O)OCCCCC
CCCCCCCCC - Molecular Weight1
- 452.71
- 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 | 1.2826 | Relay (1.0) Calculated Property | |
| ΔfG° | -348.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1125.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.471 | Crippen Calculated Property | |
| McVol | 415.960 | ml/mol | McGowan Calculated Property |
| Pc | 673.25 | kPa | Joback Calculated Property |
| Inp | [3167.00; 3167.00] |
|
|
| Inp | 3167.00 | NIST | |
| Inp | 3167.00 | NIST | |
| Tboil | 689.00 | K | Relay (1.0) Calculated Property |
| Tc | 846.84 | K | Relay (1.0) Calculated Property |
| Tfus | 295.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.590 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.33; 1451.58] | 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 | 2.52630e+01 | |||
| Coefficient B | 2.53422e+00 | |||
| Coefficient C | -1.33310e-03 | |||
| Coefficient D | 2.25200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 622.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 764.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 893.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1008.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1109.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1199.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1278.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1345.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1403.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1451.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005021; 0.0000236] | Pa×s | [488.22; 824.61] |
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 | -1.50957e+01 | |||
| Coefficient B | 3.66120e+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. | 488.22 | |||
| Temperature range, max. | 824.61 | |||
| η | 0.0005021 | Pa×s | 488.22 | Calculated Property |
| η | 0.0002946 | Pa×s | 525.60 | Calculated Property |
| η | 0.0001855 | Pa×s | 562.97 | Calculated Property |
| η | 0.0001237 | Pa×s | 600.35 | Calculated Property |
| η | 0.0000866 | Pa×s | 637.73 | Calculated Property |
| η | 0.0000630 | Pa×s | 675.11 | Calculated Property |
| η | 0.0000474 | Pa×s | 712.48 | Calculated Property |
| η | 0.0000367 | Pa×s | 749.86 | Calculated Property |
| η | 0.0000291 | Pa×s | 787.24 | Calculated Property |
| η | 0.0000236 | Pa×s | 824.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, but-3-enyl tetradecyl ester.
Sources
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