- InChI
- InChI=1S/C25H46O4/c1-3-5-7-9-11-13-15-17-19-23-29-25(27)21-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h12,14H,3-11,13,15-23H2,1-2H3/b14-12+
- InChI Key
- WGBJGWYTBFZPBR-WYMLVPIESA-N
- Formula
- C25H46O4
- SMILES
-
CCCCCC=CCCCOC(=O)CCC(=O)OCCCCC
CCCCCC - Molecular Weight1
- 410.63
- 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 | 1.1363 | Relay (1.0) Calculated Property | |
| ΔfG° | -380.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1103.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.300 | Crippen Calculated Property | |
| McVol | 373.690 | ml/mol | McGowan Calculated Property |
| Pc | 790.82 | kPa | Joback Calculated Property |
| Inp | [2800.00; 2800.00] |
|
|
| Inp | 2800.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Tboil | 648.31 | K | Relay (1.0) Calculated Property |
| Tc | 826.20 | K | Relay (1.0) Calculated Property |
| Tfus | 279.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.421 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [554.50; 1294.74] | 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 | 1.67990e+01 | |||
| Coefficient B | 2.28924e+00 | |||
| Coefficient C | -1.23080e-03 | |||
| Coefficient D | 2.19500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 554.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 682.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 797.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 899.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 990.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1070.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1140.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1200.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1251.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1294.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007192; 0.0000320] | Pa×s | [451.09; 765.29] |
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 | -1.48193e+01 | |||
| Coefficient B | 3.42012e+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. | 451.09 | |||
| Temperature range, max. | 765.29 | |||
| η | 0.0007192 | Pa×s | 451.09 | Calculated Property |
| η | 0.0004172 | Pa×s | 486.00 | Calculated Property |
| η | 0.0002603 | Pa×s | 520.91 | Calculated Property |
| η | 0.0001723 | Pa×s | 555.82 | Calculated Property |
| η | 0.0001198 | Pa×s | 590.73 | Calculated Property |
| η | 0.0000867 | Pa×s | 625.64 | Calculated Property |
| η | 0.0000650 | Pa×s | 660.55 | Calculated Property |
| η | 0.0000501 | Pa×s | 695.46 | Calculated Property |
| η | 0.0000396 | Pa×s | 730.37 | Calculated Property |
| η | 0.0000320 | Pa×s | 765.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dec-4-enyl undecyl ester.
Sources
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