- InChI
- InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5+
- InChI Key
- PMPISKBGRHSPEE-AATRIKPKSA-N
- Formula
- C8H16
- SMILES
- CCC=CCC(C)C
- Molecular Weight1
- 112.21
- CAS
- 66225-20-5
- Other Names
-
- 3-Heptene, 6-methyl-, (E)-
- 6-Methyl-trans-3-heptene
- 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).
- Pvap : Vapor 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 | 0.2906 | Relay (1.0) Calculated Property | |
| ΔfG° | 94.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -143.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.90 | kJ/mol | NIST |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | 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 | [747.80; 759.80] |
|
|
| Inp | 759.80 | NIST | |
| Inp | 747.80 | NIST | |
| Inp | 749.00 | NIST | |
| Tboil | 382.85 | K | Relay (1.0) Calculated Property |
| Tc | 551.01 | K | Relay (1.0) Calculated Property |
| Tfus | 147.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.444 | m3/kmol | Relay (1.0) Calculated Property |
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 |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [282.35; 421.68] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37634e+01 | |||
| Coefficient B | -3.15867e+03 | |||
| Coefficient C | -4.79560e+01 | |||
| Temperature range, min. | 282.35 | |||
| Temperature range, max. | 421.68 | |||
| Pvap | 1.33 | kPa | 282.35 | Calculated Property |
| Pvap | 3.07 | kPa | 297.83 | Calculated Property |
| Pvap | 6.42 | kPa | 313.31 | Calculated Property |
| Pvap | 12.38 | kPa | 328.79 | Calculated Property |
| Pvap | 22.28 | kPa | 344.27 | Calculated Property |
| Pvap | 37.82 | kPa | 359.76 | Calculated Property |
| Pvap | 61.07 | kPa | 375.24 | Calculated Property |
| Pvap | 94.44 | kPa | 390.72 | Calculated Property |
| Pvap | 140.64 | kPa | 406.20 | Calculated Property |
| Pvap | 202.65 | kPa | 421.68 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-6-Methylhept-3-ene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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