- InChI
- InChI=1S/C25H46O6/c1-5-7-10-22(15-19-28-3)12-9-18-30-24(26)13-14-25(27)31-21-17-23(11-8-6-2)16-20-29-4/h13-14,22-23H,5-12,15-21H2,1-4H3/b14-13+
- InChI Key
- NHSWDKGMJMKYTM-BUHFOSPRSA-N
- Formula
- C25H46O6
- SMILES
-
CCCCC(CCCOC(=O)C=CC(=O)OCCC(CC
CC)CCOC)CCOC - Molecular Weight1
- 442.63
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1310.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.28 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.485 | Crippen Calculated Property | |
| McVol | 385.430 | ml/mol | McGowan Calculated Property |
| Pc | 782.87 | kPa | Joback Calculated Property |
| Inp | [2836.00; 2836.00] |
|
|
| Inp | 2836.00 | NIST | |
| Inp | 2836.00 | NIST | |
| Tboil | 669.91 | K | Relay (1.0) Calculated Property |
| Tc | 841.11 | K | Relay (1.0) Calculated Property |
| Tfus | 250.00 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [584.68; 1332.82] | 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 | 6.44350e+01 | |||
| Coefficient B | 2.17468e+00 | |||
| Coefficient C | -1.01520e-03 | |||
| Coefficient D | 1.08900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 584.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 711.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 826.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 930.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1023.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1105.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1176.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1238.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1290.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1332.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004304; 0.0000146] | Pa×s | [465.55; 804.35] |
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 | -1.57842e+01 | |||
| Coefficient B | 3.73994e+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. | 465.55 | |||
| Temperature range, max. | 804.35 | |||
| η | 0.0004304 | Pa×s | 465.55 | Calculated Property |
| η | 0.0002360 | Pa×s | 503.19 | Calculated Property |
| η | 0.0001407 | Pa×s | 540.84 | Calculated Property |
| η | 0.0000897 | Pa×s | 578.48 | Calculated Property |
| η | 0.0000604 | Pa×s | 616.13 | Calculated Property |
| η | 0.0000426 | Pa×s | 653.77 | Calculated Property |
| η | 0.0000312 | Pa×s | 691.42 | Calculated Property |
| η | 0.0000236 | Pa×s | 729.06 | Calculated Property |
| η | 0.0000183 | Pa×s | 766.71 | Calculated Property |
| η | 0.0000146 | Pa×s | 804.35 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(3-(2-methoxyethyl)heptyl) ester.
Sources
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