- InChI
- InChI=1S/C32H62O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35-31(33)26-27-32(34)36-29-24-25-30(2)3/h30H,4-29H2,1-3H3
- InChI Key
- PSFXJSMOUUKPRS-UHFFFAOYSA-N
- Formula
- C32H62O4
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC
C(=O)OCCCC(C)C - Molecular Weight1
- 510.84
- 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 | 1.4270 | Relay (1.0) Calculated Property | |
| ΔfG° | -404.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1318.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 83.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 145.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.111 | Crippen Calculated Property | |
| McVol | 476.620 | ml/mol | McGowan Calculated Property |
| Pc | 547.95 | kPa | Joback Calculated Property |
| Inp | [3505.00; 3505.00] |
|
|
| Inp | 3505.00 | NIST | |
| Inp | 3505.00 | NIST | |
| Tboil | 690.11 | K | Relay (1.0) Calculated Property |
| Tc | 863.96 | K | Relay (1.0) Calculated Property |
| Tfus | 312.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.846 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [716.68; 1687.00] | 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 | 2.29360e+01 | |||
| Coefficient B | 2.94016e+00 | |||
| Coefficient C | -1.53100e-03 | |||
| Coefficient D | 2.54900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 716.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 882.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1032.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1166.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1285.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1390.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1482.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1562.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1629.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1687.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003098; 0.0000093] | Pa×s | [520.06; 928.42] |
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 | -1.60419e+01 | |||
| Coefficient B | 4.14082e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 520.06 | |||
| Temperature range, max. | 928.42 | |||
| η | 0.0003098 | Pa×s | 520.06 | Calculated Property |
| η | 0.0001635 | Pa×s | 565.43 | Calculated Property |
| η | 0.0000949 | Pa×s | 610.81 | Calculated Property |
| η | 0.0000594 | Pa×s | 656.18 | Calculated Property |
| η | 0.0000395 | Pa×s | 701.55 | Calculated Property |
| η | 0.0000276 | Pa×s | 746.93 | Calculated Property |
| η | 0.0000201 | Pa×s | 792.30 | Calculated Property |
| η | 0.0000151 | Pa×s | 837.68 | Calculated Property |
| η | 0.0000117 | Pa×s | 883.05 | Calculated Property |
| η | 0.0000093 | Pa×s | 928.42 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, docosyl isohexyl ester.
Sources
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