- InChI
- InChI=1S/C15H24O4/c1-3-5-7-9-13-19-15(17)11-10-14(16)18-12-8-6-4-2/h4,10-11H,2-3,5-9,12-13H2,1H3/b11-10+
- InChI Key
- NYCIKEPAHUNUNQ-ZHACJKMWSA-N
- Formula
- C15H24O4
- SMILES
- C=CCCCOC(=O)/C=C/C(=O)OCCCCCC
- Molecular Weight1
- 268.35
- 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 | 0.7996 | Relay (1.0) Calculated Property | |
| ΔfG° | -377.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -779.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.175 | Crippen Calculated Property | |
| McVol | 228.490 | ml/mol | McGowan Calculated Property |
| Pc | 1533.06 | kPa | Joback Calculated Property |
| Inp | [1889.00; 1889.00] |
|
|
| Inp | 1889.00 | NIST | |
| Inp | 1889.00 | NIST | |
| Tboil | 595.64 | K | Relay (1.0) Calculated Property |
| Tc | 747.11 | K | Relay (1.0) Calculated Property |
| Tfus | 259.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.831 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.55; 750.32] | 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 | 2.28980e+01 | |||
| Coefficient B | 1.31922e+00 | |||
| Coefficient C | -7.09700e-04 | |||
| Coefficient D | 1.17900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 332.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 406.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 471.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 530.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 582.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 627.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 666.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 699.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 727.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 750.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026097; 0.0001229] | Pa×s | [336.63; 586.69] |
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 | -1.31177e+01 | |||
| Coefficient B | 2.41336e+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. | 336.63 | |||
| Temperature range, max. | 586.69 | |||
| η | 0.0026097 | Pa×s | 336.63 | Calculated Property |
| η | 0.0015108 | Pa×s | 364.41 | Calculated Property |
| η | 0.0009450 | Pa×s | 392.20 | Calculated Property |
| η | 0.0006290 | Pa×s | 419.98 | Calculated Property |
| η | 0.0004404 | Pa×s | 447.77 | Calculated Property |
| η | 0.0003214 | Pa×s | 475.55 | Calculated Property |
| η | 0.0002429 | Pa×s | 503.34 | Calculated Property |
| η | 0.0001890 | Pa×s | 531.12 | Calculated Property |
| η | 0.0001508 | Pa×s | 558.90 | Calculated Property |
| η | 0.0001229 | Pa×s | 586.69 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexyl pent-4-enyl ester.
Sources
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