- InChI
- InChI=1S/C21H38O4/c1-4-6-8-9-10-11-12-14-18-24-20(22)16-17-21(23)25-19(3)15-13-7-5-2/h4,19H,1,5-18H2,2-3H3
- InChI Key
- JBEIOVDDPBCSFD-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
C=CCCCCCCCCOC(=O)CCC(=O)OC(C)C
CCCC - Molecular Weight1
- 354.53
- 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 | 0.9880 | Relay (1.0) Calculated Property | |
| ΔfG° | -409.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1001.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.739 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 992.63 | kPa | Joback Calculated Property |
| Inp | [2377.00; 2377.00] |
|
|
| Inp | 2377.00 | NIST | |
| Inp | 2377.00 | NIST | |
| Tboil | 631.15 | K | Relay (1.0) Calculated Property |
| Tc | 793.53 | K | Relay (1.0) Calculated Property |
| Tfus | 264.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.188 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.52; 1090.98] | 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 | 2.99440e+01 | |||
| Coefficient B | 1.87514e+00 | |||
| Coefficient C | -9.55500e-04 | |||
| Coefficient D | 1.41400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 473.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 580.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 675.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 761.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 838.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 905.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 963.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1013.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1056.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1090.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017084; 0.0000662] | Pa×s | [394.33; 681.73] |
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 | -1.40812e+01 | |||
| Coefficient B | 3.03990e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 394.33 | |||
| Temperature range, max. | 681.73 | |||
| η | 0.0017084 | Pa×s | 394.33 | Calculated Property |
| η | 0.0009589 | Pa×s | 426.26 | Calculated Property |
| η | 0.0005834 | Pa×s | 458.20 | Calculated Property |
| η | 0.0003786 | Pa×s | 490.13 | Calculated Property |
| η | 0.0002591 | Pa×s | 522.06 | Calculated Property |
| η | 0.0001852 | Pa×s | 554.00 | Calculated Property |
| η | 0.0001373 | Pa×s | 585.93 | Calculated Property |
| η | 0.0001050 | Pa×s | 617.86 | Calculated Property |
| η | 0.0000825 | Pa×s | 649.79 | Calculated Property |
| η | 0.0000662 | Pa×s | 681.73 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl dec-9-en-1-yl ester.
Sources
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