- InChI
- InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3
- InChI Key
- WNEYWVBECXCQRT-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- C=CCCC(C)CC
- Molecular Weight1
- 112.21
- CAS
- 13151-04-7
- Other Names
-
- 5-Methyl-1-heptene
- 5-Methylhept-1-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).
- 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 | 0.3033 | Relay (1.0) Calculated Property | |
| ΔfG° | 101.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.90 | kJ/mol | NIST |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Inp | [754.00; 760.00] |
|
|
| Inp | 759.30 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 759.30 | NIST | |
| Inp | 756.00 | NIST | |
| Tboil | 386.15 ± 2.00 | K | NIST |
| Tc | 558.99 | K | Relay (1.0) Calculated Property |
| Tfus | 151.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.425 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.07; 404.08] | 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 | -9.05700e+00 | |||
| Coefficient B | 7.49740e-01 | |||
| Coefficient C | -4.37500e-04 | |||
| Coefficient D | 1.00900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 165.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 205.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 242.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 274.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 303.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 329.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 351.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 371.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 388.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 404.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0085772; 0.0002211] | Pa×s | [163.16; 384.73] |
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 | -1.11106e+01 | |||
| Coefficient B | 1.03638e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 163.16 | |||
| Temperature range, max. | 384.73 | |||
| η | 0.0085772 | Pa×s | 163.16 | Calculated Property |
| η | 0.0037297 | Pa×s | 187.78 | Calculated Property |
| η | 0.0019672 | Pa×s | 212.40 | Calculated Property |
| η | 0.0011851 | Pa×s | 237.02 | Calculated Property |
| η | 0.0007853 | Pa×s | 261.64 | Calculated Property |
| η | 0.0005586 | Pa×s | 286.25 | Calculated Property |
| η | 0.0004194 | Pa×s | 310.87 | Calculated Property |
| η | 0.0003283 | Pa×s | 335.49 | Calculated Property |
| η | 0.0002658 | Pa×s | 360.11 | Calculated Property |
| η | 0.0002211 | Pa×s | 384.73 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [281.90; 412.65] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41948e+01 | |||
| Coefficient B | -3.21510e+03 | |||
| Coefficient C | -5.07190e+01 | |||
| Temperature range, min. | 281.90 | |||
| Temperature range, max. | 412.65 | |||
| Pvap | 1.33 | kPa | 281.90 | Calculated Property |
| Pvap | 3.03 | kPa | 296.43 | Calculated Property |
| Pvap | 6.30 | kPa | 310.96 | Calculated Property |
| Pvap | 12.10 | kPa | 325.48 | Calculated Property |
| Pvap | 21.78 | kPa | 340.01 | Calculated Property |
| Pvap | 37.06 | kPa | 354.54 | Calculated Property |
| Pvap | 60.06 | kPa | 369.07 | Calculated Property |
| Pvap | 93.33 | kPa | 383.59 | Calculated Property |
| Pvap | 139.78 | kPa | 398.12 | Calculated Property |
| Pvap | 202.67 | kPa | 412.65 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptene, 5-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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