- InChI
- InChI=1S/C20H36O4/c1-3-5-7-8-9-10-11-14-18-24-20(22)16-13-12-15-19(21)23-17-6-4-2/h9-10H,3-8,11-18H2,1-2H3/b10-9+
- InChI Key
- KFTFWCHYOGHCGB-MDZDMXLPSA-N
- Formula
- C20H36O4
- SMILES
-
CCCCC/C=C/CCCOC(=O)CCCCC(=O)OC
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 | 0.9625 | Relay (1.0) Calculated Property | |
| ΔfG° | -423.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -981.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.350 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Pc | 1056.88 | kPa | Joback Calculated Property |
| Inp | 2324.00 | NIST | |
| Tboil | 611.08 | K | Relay (1.0) Calculated Property |
| Tc | 787.22 | K | Relay (1.0) Calculated Property |
| Tfus | 251.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.143 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.43; 1036.78] | 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 | 2.13440e+01 | |||
| Coefficient B | 1.81424e+00 | |||
| Coefficient C | -9.58800e-04 | |||
| Coefficient D | 1.60000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 448.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 550.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 641.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 723.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 796.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 859.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 915.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 962.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1003.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1036.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014445; 0.0000669] | Pa×s | [394.74; 670.33] |
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 | -1.40116e+01 | |||
| Coefficient B | 2.94932e+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. | 394.74 | |||
| Temperature range, max. | 670.33 | |||
| η | 0.0014445 | Pa×s | 394.74 | Calculated Property |
| η | 0.0008435 | Pa×s | 425.36 | Calculated Property |
| η | 0.0005295 | Pa×s | 455.98 | Calculated Property |
| η | 0.0003525 | Pa×s | 486.60 | Calculated Property |
| η | 0.0002462 | Pa×s | 517.23 | Calculated Property |
| η | 0.0001790 | Pa×s | 547.85 | Calculated Property |
| η | 0.0001346 | Pa×s | 578.47 | Calculated Property |
| η | 0.0001042 | Pa×s | 609.09 | Calculated Property |
| η | 0.0000826 | Pa×s | 639.71 | Calculated Property |
| η | 0.0000669 | Pa×s | 670.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, butyl dec-4-enyl ester.
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