- InChI
- InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3
- InChI Key
- XTVRLCUJHGUXCP-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- C=C(CC)CCCC
- Molecular Weight1
- 112.21
- CAS
- 1632-16-2
- Other Names
-
- 1-Hexene, 2-ethyl-
- 2-ETHYLHEXENE
- 2-Ethyl hexene-1
- 2-Ethyl-1-hexene
- 2-Ethylhex-1-ene
- 3-Methyleneheptane
- USAF DO-21
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | 95.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -92.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.70 | kJ/mol | NIST |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2659.77 | kPa | Joback Calculated Property |
| Inp | [755.00; 793.00] |
|
|
| Inp | 786.30 | NIST | |
| Inp | 777.80 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 788.00 | NIST | |
| Inp | 780.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 764.12 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 766.68 | NIST | |
| Inp | 767.07 | NIST | |
| Inp | 777.10 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | Outlier 755.00 | NIST | |
| Inp | 793.00 | NIST | |
| I | 847.00 | NIST | |
| Tboil | [392.00; 392.60] | K |
|
| Tboil | 392.60 ± 0.50 | K | NIST |
| Tboil | 392.60 ± 0.30 | K | NIST |
| Tboil | 392.00 ± 4.00 | K | NIST |
| Tc | 549.05 | K | Joback Calculated Property |
| Tfus | 164.20 | K | Joback Calculated Property |
| Vc | 0.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.72; 286.75] | J/mol×K | [379.00; 549.05] |
|
| Cp,gas | 217.72 | J/mol×K | 379.00 | Joback Calculated Property |
| Cp,gas | 230.42 | J/mol×K | 407.34 | Joback Calculated Property |
| Cp,gas | 242.63 | J/mol×K | 435.68 | Joback Calculated Property |
| Cp,gas | 254.35 | J/mol×K | 464.02 | Joback Calculated Property |
| Cp,gas | 265.60 | J/mol×K | 492.37 | Joback Calculated Property |
| Cp,gas | 276.40 | J/mol×K | 520.71 | Joback Calculated Property |
| Cp,gas | 286.75 | J/mol×K | 549.05 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [286.16; 419.63] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47653e+01 | |||
| Coefficient B | -3.63616e+03 | |||
| Coefficient C | -3.50030e+01 | |||
| Temperature range, min. | 286.16 | |||
| Temperature range, max. | 419.63 | |||
| Pvap | 1.33 | kPa | 286.16 | Calculated Property |
| Pvap | 2.99 | kPa | 300.99 | Calculated Property |
| Pvap | 6.15 | kPa | 315.82 | Calculated Property |
| Pvap | 11.78 | kPa | 330.65 | Calculated Property |
| Pvap | 21.19 | kPa | 345.48 | Calculated Property |
| Pvap | 36.15 | kPa | 360.31 | Calculated Property |
| Pvap | 58.85 | kPa | 375.14 | Calculated Property |
| Pvap | 91.98 | kPa | 389.97 | Calculated Property |
| Pvap | 138.71 | kPa | 404.80 | Calculated Property |
| Pvap | 202.66 | kPa | 419.63 | Calculated Property |
| Pvap | [9.27e-06; 3094.88] | kPa | [173.00; 574.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.56085e+01 | |||
| Coefficient B | -7.05997e+03 | |||
| Coefficient C | -9.03971e+00 | |||
| Coefficient D | 6.53934e-06 | |||
| Temperature range, min. | 173.00 | |||
| Temperature range, max. | 574.00 | |||
| Pvap | 9.27e-06 | kPa | 173.00 | Calculated Property |
| Pvap | 5.58e-03 | kPa | 217.56 | Calculated Property |
| Pvap | 0.30 | kPa | 262.11 | Calculated Property |
| Pvap | 4.23 | kPa | 306.67 | Calculated Property |
| Pvap | 27.90 | kPa | 351.22 | Calculated Property |
| Pvap | 113.23 | kPa | 395.78 | Calculated Property |
| Pvap | 334.84 | kPa | 440.33 | Calculated Property |
| Pvap | 800.45 | kPa | 484.89 | Calculated Property |
| Pvap | 1654.65 | kPa | 529.44 | Calculated Property |
| Pvap | 3094.88 | kPa | 574.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 3-methylene-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
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