- InChI
- InChI=1S/C20H34O4/c1-3-5-7-8-9-10-11-12-13-14-18-24-20(22)16-15-19(21)23-17-6-4-2/h4,13-14H,2-3,5-12,15-18H2,1H3/b14-13+
- InChI Key
- AJSUOTAOMMWMPR-BUHFOSPRSA-N
- Formula
- C20H34O4
- SMILES
-
C=CCCOC(=O)CCC(=O)OCC=CCCCCCCC
CC - Molecular Weight1
- 338.48
- 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 | 0.9132 | Relay (1.0) Calculated Property | |
| ΔfG° | -335.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -897.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.126 | Crippen Calculated Property | |
| McVol | 298.940 | ml/mol | McGowan Calculated Property |
| Pc | 1086.35 | kPa | Joback Calculated Property |
| Inp | [2366.00; 2366.00] |
|
|
| Inp | 2366.00 | NIST | |
| Inp | 2366.00 | NIST | |
| Tboil | 630.16 | K | Relay (1.0) Calculated Property |
| Tc | 792.35 | K | Relay (1.0) Calculated Property |
| Tfus | 252.81 | K | Relay (1.0) Calculated Property |
| Vc | 1.091 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.62; 1008.27] | 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 | 1.83530e+01 | |||
| Coefficient B | 1.79422e+00 | |||
| Coefficient C | -9.81700e-04 | |||
| Coefficient D | 1.77400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 438.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 538.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 627.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 706.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 776.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 838.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 891.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 937.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 975.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1008.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014426; 0.0000701] | Pa×s | [392.98; 668.52] |
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 | -1.38805e+01 | |||
| Coefficient B | 2.88416e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 392.98 | |||
| Temperature range, max. | 668.52 | |||
| η | 0.0014426 | Pa×s | 392.98 | Calculated Property |
| η | 0.0008487 | Pa×s | 423.60 | Calculated Property |
| η | 0.0005364 | Pa×s | 454.21 | Calculated Property |
| η | 0.0003592 | Pa×s | 484.83 | Calculated Property |
| η | 0.0002523 | Pa×s | 515.44 | Calculated Property |
| η | 0.0001843 | Pa×s | 546.06 | Calculated Property |
| η | 0.0001393 | Pa×s | 576.67 | Calculated Property |
| η | 0.0001082 | Pa×s | 607.29 | Calculated Property |
| η | 0.0000862 | Pa×s | 637.90 | Calculated Property |
| η | 0.0000701 | Pa×s | 668.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl but-3-en-1-yl ester.
Sources
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