- InChI
- InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h2,8H,4,6-7H2,1,3H3
- InChI Key
- ATKNUJMYQIQYAU-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- C#CC(C)CCCC
- Molecular Weight1
- 110.20
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.2723 | Relay (1.0) Calculated Property | |
| ΔfG° | 237.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 83.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.446 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Inp | 730.00 | NIST | |
| Tboil | 383.30 | K | Relay (1.0) Calculated Property |
| Tc | 561.73 | K | Relay (1.0) Calculated Property |
| Tfus | 192.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.69; 374.91] | 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 | 7.71300e+00 | |||
| Coefficient B | 6.75840e-01 | |||
| Coefficient C | -4.10530e-04 | |||
| Coefficient D | 1.01890e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 163.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 199.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 232.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 260.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 286.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 308.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 328.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 345.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 361.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 374.91 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptyne, 3-methyl.
Sources
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