- InChI
- InChI=1S/C20H36O4/c1-4-6-8-10-11-12-14-18(3)24-20(22)16-15-19(21)23-17-13-9-7-5-2/h5,18H,2,4,6-17H2,1,3H3
- InChI Key
- JPYDUNLLFDHQGO-UHFFFAOYSA-N
- Formula
- C20H36O4
- SMILES
-
C=CCCCCOC(=O)CCC(=O)OC(C)CCCCC
CCC - Molecular Weight1
- 340.50
- 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 | 0.9532 | Relay (1.0) Calculated Property | |
| ΔfG° | -417.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -981.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.348 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Pc | 1055.51 | kPa | Joback Calculated Property |
| Inp | [2265.00; 2265.00] |
|
|
| Inp | 2265.00 | NIST | |
| Inp | 2265.00 | NIST | |
| Tboil | 623.81 | K | Relay (1.0) Calculated Property |
| Tc | 785.06 | K | Relay (1.0) Calculated Property |
| Tfus | 260.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.133 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.31; 1039.39] | 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 | 3.08530e+01 | |||
| Coefficient B | 1.78014e+00 | |||
| Coefficient C | -9.01100e-04 | |||
| Coefficient D | 1.29500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 452.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 553.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 644.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 726.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 799.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 863.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 918.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 966.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1006.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1039.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019644; 0.0000759] | Pa×s | [383.06; 663.98] |
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 | -1.39226e+01 | |||
| Coefficient B | 2.94574e+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. | 383.06 | |||
| Temperature range, max. | 663.98 | |||
| η | 0.0019644 | Pa×s | 383.06 | Calculated Property |
| η | 0.0011006 | Pa×s | 414.27 | Calculated Property |
| η | 0.0006687 | Pa×s | 445.49 | Calculated Property |
| η | 0.0004337 | Pa×s | 476.70 | Calculated Property |
| η | 0.0002967 | Pa×s | 507.91 | Calculated Property |
| η | 0.0002121 | Pa×s | 539.12 | Calculated Property |
| η | 0.0001573 | Pa×s | 570.34 | Calculated Property |
| η | 0.0001203 | Pa×s | 601.55 | Calculated Property |
| η | 0.0000945 | Pa×s | 632.76 | Calculated Property |
| η | 0.0000759 | Pa×s | 663.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dec-2-yl hex-5-en-1-yl ester.
Sources
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