- InChI
- InChI=1S/C16H26O4/c1-3-5-7-8-10-14-20-16(18)12-11-15(17)19-13-9-6-4-2/h4,11-12H,2-3,5-10,13-14H2,1H3/b12-11+
- InChI Key
- SGLOUBOOSRWDAJ-VAWYXSNFSA-N
- Formula
- C16H26O4
- SMILES
- C=CCCCOC(=O)C=CC(=O)OCCCCCCC
- Molecular Weight1
- 282.38
- 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 | 0.8409 | Relay (1.0) Calculated Property | |
| ΔfG° | -368.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.566 | Crippen Calculated Property | |
| McVol | 242.580 | ml/mol | McGowan Calculated Property |
| Pc | 1423.99 | kPa | Joback Calculated Property |
| Inp | [1988.00; 1988.00] |
|
|
| Inp | 1988.00 | NIST | |
| Inp | 1988.00 | NIST | |
| Tboil | 598.48 | K | Relay (1.0) Calculated Property |
| Tc | 753.76 | K | Relay (1.0) Calculated Property |
| Tfus | 256.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.887 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.76; 801.91] | 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 | 2.19890e+01 | |||
| Coefficient B | 1.41422e+00 | |||
| Coefficient C | -7.64100e-04 | |||
| Coefficient D | 1.29800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 353.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 432.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 502.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 565.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 620.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 669.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 711.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 747.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 777.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 801.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023387; 0.0001113] | Pa×s | [347.90; 602.35] |
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 | -1.32657e+01 | |||
| Coefficient B | 2.50752e+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. | 347.90 | |||
| Temperature range, max. | 602.35 | |||
| η | 0.0023387 | Pa×s | 347.90 | Calculated Property |
| η | 0.0013605 | Pa×s | 376.17 | Calculated Property |
| η | 0.0008538 | Pa×s | 404.45 | Calculated Property |
| η | 0.0005694 | Pa×s | 432.72 | Calculated Property |
| η | 0.0003991 | Pa×s | 460.99 | Calculated Property |
| η | 0.0002914 | Pa×s | 489.26 | Calculated Property |
| η | 0.0002203 | Pa×s | 517.54 | Calculated Property |
| η | 0.0001714 | Pa×s | 545.81 | Calculated Property |
| η | 0.0001367 | Pa×s | 574.08 | Calculated Property |
| η | 0.0001113 | Pa×s | 602.35 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, heptyl pent-4-enyl ester.
Sources
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