- InChI
- InChI=1S/C15H26O2/c1-5-13(4)11-9-8-10-12-14(6-2)17-15(16)7-3/h6-7,13-14H,2-3,5,8-12H2,1,4H3
- InChI Key
- TWXJMPDHSKXVID-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- C=CC(=O)OC(C=C)CCCCCC(C)CC
- Molecular Weight1
- 238.37
- 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 | 0.6729 | Relay (1.0) Calculated Property | |
| ΔfusH° | 29.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.76 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.267 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1534.26 | kPa | Joback Calculated Property |
| Inp | [1552.00; 1552.00] |
|
|
| Inp | 1552.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Tboil | 526.76 | K | Relay (1.0) Calculated Property |
| Tc | 713.10 | K | Relay (1.0) Calculated Property |
| Tfus | 222.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.780 | 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 | [319.78; 745.36] | 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 | 5.31600e+00 | |||
| Coefficient B | 1.34584e+00 | |||
| Coefficient C | -7.49800e-04 | |||
| Coefficient D | 1.44000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 319.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 393.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 460.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 519.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 571.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 617.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 657.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 691.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 720.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 745.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0080297; 0.0001683] | Pa×s | [267.62; 538.13] |
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 | -1.25142e+01 | |||
| Coefficient B | 2.05788e+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. | 267.62 | |||
| Temperature range, max. | 538.13 | |||
| η | 0.0080297 | Pa×s | 267.62 | Calculated Property |
| η | 0.0036941 | Pa×s | 297.68 | Calculated Property |
| η | 0.0019596 | Pa×s | 327.73 | Calculated Property |
| η | 0.0011563 | Pa×s | 357.79 | Calculated Property |
| η | 0.0007405 | Pa×s | 387.84 | Calculated Property |
| η | 0.0005056 | Pa×s | 417.90 | Calculated Property |
| η | 0.0003633 | Pa×s | 447.96 | Calculated Property |
| η | 0.0002722 | Pa×s | 478.01 | Calculated Property |
| η | 0.0002110 | Pa×s | 508.07 | Calculated Property |
| η | 0.0001683 | Pa×s | 538.13 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Ethenyl-7-methylnonyl Prop-2-enoate.
Sources
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