- InChI
- InChI=1S/C21H38O4/c1-3-5-7-8-9-10-11-12-13-15-19-25-21(23)17-16-20(22)24-18-14-6-4-2/h4H,2-3,5-19H2,1H3
- InChI Key
- ZAFDXBCQCSXDAI-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
C=CCCCOC(=O)CCC(=O)OCCCCCCCCCC
CC - Molecular Weight1
- 354.52
- 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 | 1.0322 | Relay (1.0) Calculated Property | |
| ΔfG° | -406.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -986.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.740 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 987.64 | kPa | Joback Calculated Property |
| Inp | [2432.00; 2432.00] |
|
|
| Inp | 2432.00 | NIST | |
| Inp | 2432.00 | NIST | |
| Tboil | 643.12 | K | Relay (1.0) Calculated Property |
| Tc | 800.42 | K | Relay (1.0) Calculated Property |
| Tfus | 280.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.205 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.84; 1090.45] | 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 | 3.16260e+01 | |||
| Coefficient B | 1.86922e+00 | |||
| Coefficient C | -9.52300e-04 | |||
| Coefficient D | 1.41900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 473.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 580.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 675.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 761.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 837.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 904.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 962.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1013.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1055.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1090.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013427; 0.0000718] | Pa×s | [409.33; 681.50] |
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 | -1.39472e+01 | |||
| Coefficient B | 3.00208e+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. | 409.33 | |||
| Temperature range, max. | 681.50 | |||
| η | 0.0013427 | Pa×s | 409.33 | Calculated Property |
| η | 0.0008107 | Pa×s | 439.57 | Calculated Property |
| η | 0.0005223 | Pa×s | 469.81 | Calculated Property |
| η | 0.0003549 | Pa×s | 500.05 | Calculated Property |
| η | 0.0002520 | Pa×s | 530.30 | Calculated Property |
| η | 0.0001857 | Pa×s | 560.54 | Calculated Property |
| η | 0.0001412 | Pa×s | 590.78 | Calculated Property |
| η | 0.0001102 | Pa×s | 621.02 | Calculated Property |
| η | 0.0000881 | Pa×s | 651.26 | Calculated Property |
| η | 0.0000718 | Pa×s | 681.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodecyl pent-4-enyl ester.
Sources
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