- InChI
- InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3
- InChI Key
- RCBGGJURENJHKV-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- C=C(C)CCCCC
- Molecular Weight1
- 112.22
- CAS
- 15870-10-7
- Other Names
-
- 1-heptene, 2-methyl-
- 2-Methylhept-1-ene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Ptriple : Triple Point Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λgas : Gas thermal conductivity (W/m×K).
- λliquid : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3551 | ChemSep v8.3 pure component data Compiled value | |
| μ | 0.00 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | 93.20 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -96.99 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfusH° | 13.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.30 | kJ/mol | NIST |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2400.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Ptriple | 1.13e-04 | kPa | ChemSep v8.3 pure component data Compiled value |
| Inp | [773.00; 788.00] |
|
|
| Inp | 784.30 | NIST | |
| Inp | 774.90 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 776.40 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 787.50 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 788.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | Outlier 773.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 787.50 | NIST | |
| Tboil | [389.65; 393.15] | K |
|
| Tboil | 392.37 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 392.50 | K | NIST |
| Tboil | Outlier 389.65 ± 3.00 | K | NIST |
| Tboil | 392.00 ± 3.00 | K | NIST |
| Tboil | 392.37 ± 0.30 | K | NIST |
| Tboil | 392.50 ± 1.00 | K | NIST |
| Tboil | 391.65 ± 1.00 | K | NIST |
| Tboil | 392.45 ± 0.50 | K | NIST |
| Tboil | 391.65 ± 1.00 | K | NIST |
| Tboil | 392.75 ± 0.40 | K | NIST |
| Tboil | 392.45 ± 0.50 | K | NIST |
| Tboil | 393.15 ± 2.00 | K | NIST |
| Tboil | 392.65 ± 0.50 | K | NIST |
| Tboil | 393.15 ± 2.00 | K | NIST |
| Tc | [564.00; 567.50] | K |
|
| Tc | 567.50 | K | Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons |
| Tc | 564.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | [183.01; 185.78] | K |
|
| Tfus | 183.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | Outlier 185.78 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 183.01 ± 1.00 | K | NIST |
| Tfus | 183.01 ± 0.30 | K | NIST |
| Tfus | 183.01 ± 0.30 | K | NIST |
| Tfus | 183.05 ± 0.50 | K | NIST |
| Ttriple | 185.77 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 4.84 | ChemSep v8.3 pure component data Compiled value | |
| URi | 5.62 | ChemSep v8.3 pure component data Compiled value | |
| Vc | 0.497 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.2500000 | ChemSep v8.3 pure component data Compiled value | |
| Zra | 0.25 | ChemSep v8.3 pure component data Compiled value |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.27; 428.92] | J/mol×K | [250.00; 1200.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 9.25000e+01 | |||
| Coefficient B | -4.50540e+02 | |||
| Coefficient C | 5.80424e+00 | |||
| Coefficient D | 6.88640e-04 | |||
| Coefficient E | -3.03340e-07 | |||
| Temperature range, min. | 250.00 | |||
| Temperature range, max. | 1200.00 | |||
| Cp,gas | 156.27 | J/mol×K | 250.00 | Calculated Property |
| Cp,gas | 207.35 | J/mol×K | 355.56 | Calculated Property |
| Cp,gas | 253.31 | J/mol×K | 461.11 | Calculated Property |
| Cp,gas | 293.24 | J/mol×K | 566.67 | Calculated Property |
| Cp,gas | 327.57 | J/mol×K | 672.22 | Calculated Property |
| Cp,gas | 356.80 | J/mol×K | 777.78 | Calculated Property |
| Cp,gas | 381.32 | J/mol×K | 883.33 | Calculated Property |
| Cp,gas | 401.39 | J/mol×K | 988.89 | Calculated Property |
| Cp,gas | 417.21 | J/mol×K | 1094.44 | Calculated Property |
| Cp,gas | 428.92 | J/mol×K | 1200.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [217.75; 308.93] | J/mol×K | [250.00; 425.25] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 8.82570e+01 | |||
| Coefficient B | 8.55110e+02 | |||
| Coefficient C | -3.71486e+00 | |||
| Coefficient D | 2.62450e-02 | |||
| Coefficient E | -2.24510e-05 | |||
| Temperature range, min. | 250.00 | |||
| Temperature range, max. | 425.25 | |||
| Cp,liquid | 217.75 | J/mol×K | 250.00 | Calculated Property |
| Cp,liquid | 222.61 | J/mol×K | 269.47 | Calculated Property |
| Cp,liquid | 229.93 | J/mol×K | 288.94 | Calculated Property |
| Cp,liquid | 239.15 | J/mol×K | 308.42 | Calculated Property |
| Cp,liquid | 249.80 | J/mol×K | 327.89 | Calculated Property |
| Cp,liquid | 261.46 | J/mol×K | 347.36 | Calculated Property |
| Cp,liquid | 273.67 | J/mol×K | 366.83 | Calculated Property |
| Cp,liquid | 285.98 | J/mol×K | 386.31 | Calculated Property |
| Cp,liquid | 297.91 | J/mol×K | 405.78 | Calculated Property |
| Cp,liquid | 308.93 | J/mol×K | 425.25 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043930; 0.0000513] | Pa×s | [173.15; 555.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -3.46740e+01 | |||
| Coefficient B | 1.65530e+03 | |||
| Coefficient C | 3.86930e+00 | |||
| Coefficient D | -8.56020e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 173.15 | |||
| Temperature range, max. | 555.00 | |||
| η | 0.0043930 | Pa×s | 173.15 | Calculated Property |
| η | 0.0013571 | Pa×s | 215.58 | Calculated Property |
| η | 0.0006478 | Pa×s | 258.01 | Calculated Property |
| η | 0.0003852 | Pa×s | 300.43 | Calculated Property |
| η | 0.0002571 | Pa×s | 342.86 | Calculated Property |
| η | 0.0001821 | Pa×s | 385.29 | Calculated Property |
| η | 0.0001326 | Pa×s | 427.72 | Calculated Property |
| η | 0.0000973 | Pa×s | 470.14 | Calculated Property |
| η | 0.0000711 | Pa×s | 512.57 | Calculated Property |
| η | 0.0000513 | Pa×s | 555.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [43.36; 14.80] | kJ/mol | [185.77; 546.94] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 5.80210e+01 | |||
| Coefficient B | 1.47110e+00 | |||
| Coefficient C | -3.33600e+00 | |||
| Coefficient D | 3.80180e+00 | |||
| Coefficient E | -1.55790e+00 | |||
| Critical temperature, Tc (K) | 5.64000e+02 | |||
| Temperature range, min. | 185.77 | |||
| Temperature range, max. | 546.94 | |||
| ΔvapH | 43.36 | kJ/mol | 185.77 | Calculated Property |
| ΔvapH | 41.72 | kJ/mol | 225.90 | Calculated Property |
| ΔvapH | 40.08 | kJ/mol | 266.03 | Calculated Property |
| ΔvapH | 38.28 | kJ/mol | 306.16 | Calculated Property |
| ΔvapH | 36.20 | kJ/mol | 346.29 | Calculated Property |
| ΔvapH | 33.74 | kJ/mol | 386.42 | Calculated Property |
| ΔvapH | 30.79 | kJ/mol | 426.55 | Calculated Property |
| ΔvapH | 27.20 | kJ/mol | 466.68 | Calculated Property |
| ΔvapH | 22.55 | kJ/mol | 506.81 | Calculated Property |
| ΔvapH | 14.80 | kJ/mol | 546.94 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [286.66; 418.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41848e+01 | |||
| Coefficient B | -3.23383e+03 | |||
| Coefficient C | -5.39600e+01 | |||
| Temperature range, min. | 286.66 | |||
| Temperature range, max. | 418.41 | |||
| Pvap | 1.33 | kPa | 286.66 | Calculated Property |
| Pvap | 3.04 | kPa | 301.30 | Calculated Property |
| Pvap | 6.30 | kPa | 315.94 | Calculated Property |
| Pvap | 12.11 | kPa | 330.58 | Calculated Property |
| Pvap | 21.80 | kPa | 345.22 | Calculated Property |
| Pvap | 37.08 | kPa | 359.85 | Calculated Property |
| Pvap | 60.09 | kPa | 374.49 | Calculated Property |
| Pvap | 93.36 | kPa | 389.13 | Calculated Property |
| Pvap | 139.80 | kPa | 403.77 | Calculated Property |
| Pvap | 202.67 | kPa | 418.41 | Calculated Property |
| Pvap | [3.75e-05; 2607.73] | kPa | [185.77; 567.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.01552e+02 | |||
| Coefficient B | -8.25720e+03 | |||
| Coefficient C | -1.29410e+01 | |||
| Coefficient D | 9.10620e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 185.77 | |||
| Temperature range, max. | 567.00 | |||
| Pvap | 3.75e-05 | kPa | 185.77 | Calculated Property |
| Pvap | 0.01 | kPa | 228.13 | Calculated Property |
| Pvap | 0.46 | kPa | 270.49 | Calculated Property |
| Pvap | 5.44 | kPa | 312.85 | Calculated Property |
| Pvap | 31.70 | kPa | 355.21 | Calculated Property |
| Pvap | 117.40 | kPa | 397.56 | Calculated Property |
| Pvap | 323.20 | kPa | 439.92 | Calculated Property |
| Pvap | 729.87 | kPa | 482.28 | Calculated Property |
| Pvap | 1442.55 | kPa | 524.64 | Calculated Property |
| Pvap | 2607.73 | kPa | 567.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [803.56; 251.77] | kg/m3 | [185.77; 567.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 6.03311e+01 | |||
| Coefficient B | 2.54760e-01 | |||
| Coefficient C | 5.67010e+02 | |||
| Coefficient D | 2.83760e-01 | |||
| Temperature range, min. | 185.77 | |||
| Temperature range, max. | 567.00 | |||
| ρl | 803.56 | kg/m3 | 185.77 | Calculated Property |
| ρl | 771.93 | kg/m3 | 228.13 | Calculated Property |
| ρl | 738.75 | kg/m3 | 270.49 | Calculated Property |
| ρl | 703.64 | kg/m3 | 312.85 | Calculated Property |
| ρl | 666.05 | kg/m3 | 355.21 | Calculated Property |
| ρl | 625.10 | kg/m3 | 397.56 | Calculated Property |
| ρl | 579.31 | kg/m3 | 439.92 | Calculated Property |
| ρl | 525.64 | kg/m3 | 482.28 | Calculated Property |
| ρl | 455.90 | kg/m3 | 524.64 | Calculated Property |
| ρl | 251.77 | kg/m3 | 567.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.03; 5.31e-04] | N/m | [185.77; 546.94] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K | |||
| Coefficient A | -1.10300e-02 | |||
| Coefficient B | 3.81040e+01 | |||
| Coefficient C | -3.17100e+00 | |||
| Coefficient D | 5.40090e-05 | |||
| Coefficient E | -4.64110e-06 | |||
| Temperature range, min. | 185.77 | |||
| Temperature range, max. | 546.94 | |||
| γ | 0.03 | N/m | 185.77 | Calculated Property |
| γ | 0.03 | N/m | 225.90 | Calculated Property |
| γ | 0.02 | N/m | 266.03 | Calculated Property |
| γ | 0.02 | N/m | 306.16 | Calculated Property |
| γ | 0.02 | N/m | 346.29 | Calculated Property |
| γ | 0.01 | N/m | 386.42 | Calculated Property |
| γ | 0.01 | N/m | 426.55 | Calculated Property |
| γ | 0.01 | N/m | 466.68 | Calculated Property |
| γ | 0.00 | N/m | 506.81 | Calculated Property |
| γ | 5.31e-04 | N/m | 546.94 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.00; 0.09] | W/m×K | [185.77; 1000.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K | |||
| Coefficient A | 8.52330e-04 | |||
| Coefficient B | 7.18030e-01 | |||
| Coefficient C | 8.13860e+01 | |||
| Coefficient D | 3.30930e+05 | |||
| Temperature range, min. | 185.77 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.00 | W/m×K | 185.77 | Calculated Property |
| λgas | 0.01 | W/m×K | 276.24 | Calculated Property |
| λgas | 0.02 | W/m×K | 366.71 | Calculated Property |
| λgas | 0.03 | W/m×K | 457.18 | Calculated Property |
| λgas | 0.04 | W/m×K | 547.65 | Calculated Property |
| λgas | 0.05 | W/m×K | 638.12 | Calculated Property |
| λgas | 0.06 | W/m×K | 728.59 | Calculated Property |
| λgas | 0.07 | W/m×K | 819.06 | Calculated Property |
| λgas | 0.08 | W/m×K | 909.53 | Calculated Property |
| λgas | 0.09 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.13; 0.09] | W/m×K | [185.77; 392.37] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K | |||
| Coefficient A | -7.14000e-02 | |||
| Coefficient B | 1.77670e+00 | |||
| Coefficient C | -1.47290e+00 | |||
| Coefficient D | -5.55170e-04 | |||
| Coefficient E | -1.04920e-06 | |||
| Temperature range, min. | 185.77 | |||
| Temperature range, max. | 392.37 | |||
| λliquid | 0.13 | W/m×K | 185.77 | Calculated Property |
| λliquid | 0.13 | W/m×K | 208.73 | Calculated Property |
| λliquid | 0.12 | W/m×K | 231.68 | Calculated Property |
| λliquid | 0.12 | W/m×K | 254.64 | Calculated Property |
| λliquid | 0.11 | W/m×K | 277.59 | Calculated Property |
| λliquid | 0.11 | W/m×K | 300.55 | Calculated Property |
| λliquid | 0.10 | W/m×K | 323.50 | Calculated Property |
| λliquid | 0.10 | W/m×K | 346.46 | Calculated Property |
| λliquid | 0.09 | W/m×K | 369.41 | Calculated Property |
| λliquid | 0.09 | W/m×K | 392.37 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-METHYL-1-HEPTENE.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- Crippen Method
- Crippen Method
- Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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