- InChI
- InChI=1S/C22H24O4/c1-3-9-17-11-5-7-13-19(17)25-21(23)15-16-22(24)26-20-14-8-6-12-18(20)10-4-2/h5-8,11-16H,3-4,9-10H2,1-2H3/b16-15-
- InChI Key
- RICHKLPZEZIMAK-FOCLMDBBSA-N
- Formula
- C22H24O4
- SMILES
-
CCCc1ccccc1OC(=O)/C=C/C(=O)Oc1
ccccc1CCC - Molecular Weight1
- 352.43
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.9207 | Relay (1.0) Calculated Property | |
| ΔfusH° | 48.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.97 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.659 | Crippen Calculated Property | |
| McVol | 283.900 | ml/mol | McGowan Calculated Property |
| Pc | 1439.16 | kPa | Joback Calculated Property |
| Inp | [2567.00; 2567.00] |
|
|
| Inp | 2567.00 | NIST | |
| Inp | 2567.00 | NIST | |
| Tboil | 661.19 | K | Relay (1.0) Calculated Property |
| Tc | 912.76 | K | Relay (1.0) Calculated Property |
| Tfus | 360.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.016 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [381.44; 896.83] | 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 | -1.96860e+01 | |||
| Coefficient B | 1.72744e+00 | |||
| Coefficient C | -9.95920e-04 | |||
| Coefficient D | 1.85000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 381.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 474.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 558.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 631.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 695.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 750.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 797.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 837.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 870.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 896.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004571; 0.0000471] | Pa×s | [495.16; 777.11] |
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 | -1.39551e+01 | |||
| Coefficient B | 3.10196e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 495.16 | |||
| Temperature range, max. | 777.11 | |||
| η | 0.0004571 | Pa×s | 495.16 | Calculated Property |
| η | 0.0003149 | Pa×s | 526.49 | Calculated Property |
| η | 0.0002262 | Pa×s | 557.82 | Calculated Property |
| η | 0.0001683 | Pa×s | 589.14 | Calculated Property |
| η | 0.0001290 | Pa×s | 620.47 | Calculated Property |
| η | 0.0001014 | Pa×s | 651.80 | Calculated Property |
| η | 0.0000815 | Pa×s | 683.13 | Calculated Property |
| η | 0.0000668 | Pa×s | 714.46 | Calculated Property |
| η | 0.0000557 | Pa×s | 745.78 | Calculated Property |
| η | 0.0000471 | Pa×s | 777.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(2-propylphenyl) ester.
Sources
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