- InChI
- InChI=1S/C26H46O4/c1-3-5-7-9-11-13-15-19-23-29-25(27)21-17-18-22-26(28)30-24-20-16-14-12-10-8-6-4-2/h11-14H,3-10,15-24H2,1-2H3/b13-11+,14-12+
- InChI Key
- ZHQJSFIZBDONBB-PHEQNACWSA-N
- Formula
- C26H46O4
- SMILES
-
CCCCCC=CCCCOC(=O)CCCCC(=O)OCCC
C=CCCCCC - Molecular Weight1
- 422.64
- 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 | 1.1054 | Relay (1.0) Calculated Property | |
| ΔfG° | -292.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1090.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.467 | Crippen Calculated Property | |
| McVol | 383.480 | ml/mol | McGowan Calculated Property |
| Pc | 771.60 | kPa | Joback Calculated Property |
| Inp | [2898.00; 2898.00] |
|
|
| Inp | 2898.00 | NIST | |
| Inp | 2898.00 | NIST | |
| Tboil | 659.24 | K | Relay (1.0) Calculated Property |
| Tc | 827.70 | K | Relay (1.0) Calculated Property |
| Tfus | 268.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.418 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [561.71; 1315.75] | 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 | 1.70800e+00 | |||
| Coefficient B | 2.40424e+00 | |||
| Coefficient C | -1.36900e-03 | |||
| Coefficient D | 2.78800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 561.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 693.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 810.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 915.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1007.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1088.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1158.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1219.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1271.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1315.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005860; 0.0000237] | Pa×s | [457.28; 788.88] |
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 | -1.50755e+01 | |||
| Coefficient B | 3.49052e+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. | 457.28 | |||
| Temperature range, max. | 788.88 | |||
| η | 0.0005860 | Pa×s | 457.28 | Calculated Property |
| η | 0.0003317 | Pa×s | 494.12 | Calculated Property |
| η | 0.0002031 | Pa×s | 530.97 | Calculated Property |
| η | 0.0001326 | Pa×s | 567.81 | Calculated Property |
| η | 0.0000912 | Pa×s | 604.66 | Calculated Property |
| η | 0.0000654 | Pa×s | 641.50 | Calculated Property |
| η | 0.0000487 | Pa×s | 678.35 | Calculated Property |
| η | 0.0000374 | Pa×s | 715.19 | Calculated Property |
| η | 0.0000294 | Pa×s | 752.04 | Calculated Property |
| η | 0.0000237 | Pa×s | 788.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, di(dec-4-enyl) ester.
Sources
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