- InChI
- InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h6-8H,4-5H2,1-3H3/b7-6+
- InChI Key
- YMNTZRCUPAYGLG-VOTSOKGWSA-N
- Formula
- C8H16
- SMILES
- CCC=CC(C)CC
- Molecular Weight1
- 112.21
- CAS
- 13172-91-3
- Other Names
-
- 5-Methyl-3-heptene
- (Z)-5-Methylhept-3-ene
- 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).
- 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 | 0.2826 | Relay (1.0) Calculated Property | |
| ΔfG° | 94.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2695.80 | kPa | Joback Calculated Property |
| Inp | [753.70; 766.00] |
|
|
| Inp | 766.00 | NIST | |
| Inp | 753.70 | NIST | |
| Inp | 765.50 | NIST | |
| Tboil | 379.00 | K | Relay (1.0) Calculated Property |
| Tc | 553.33 | K | Relay (1.0) Calculated Property |
| Tfus | 158.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.87; 402.01] | 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 | -2.02480e+01 | |||
| Coefficient B | 7.89760e-01 | |||
| Coefficient C | -4.98400e-04 | |||
| Coefficient D | 1.30900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 272.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 301.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 326.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 348.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 368.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 386.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 402.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0101457; 0.0001849] | Pa×s | [159.84; 393.64] |
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 | -1.13336e+01 | |||
| Coefficient B | 1.07778e+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. | 159.84 | |||
| Temperature range, max. | 393.64 | |||
| η | 0.0101457 | Pa×s | 159.84 | Calculated Property |
| η | 0.0039527 | Pa×s | 185.82 | Calculated Property |
| η | 0.0019406 | Pa×s | 211.79 | Calculated Property |
| η | 0.0011130 | Pa×s | 237.77 | Calculated Property |
| η | 0.0007122 | Pa×s | 263.75 | Calculated Property |
| η | 0.0004937 | Pa×s | 289.73 | Calculated Property |
| η | 0.0003635 | Pa×s | 315.70 | Calculated Property |
| η | 0.0002804 | Pa×s | 341.68 | Calculated Property |
| η | 0.0002244 | Pa×s | 367.66 | Calculated Property |
| η | 0.0001849 | Pa×s | 393.64 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptene, 5-methyl-.
Sources
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