- InChI
- InChI=1S/C8H14/c1-4-5-6-7-8(2)3/h8H,4,7H2,1-3H3
- InChI Key
- UUWGRVSCFPICBP-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- CCC#CCC(C)C
- Molecular Weight1
- 110.20
- CAS
- 54050-92-9
- Other Names
-
- 3-Heptyne, 6-methyl
- 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.
- 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° | 216.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 58.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.446 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Inp | [777.00; 777.00] |
|
|
| Inp | 777.00 | NIST | |
| Inp | 777.00 | NIST | |
| Tboil | 391.00 | K | Joback Calculated Property |
| Tc | 582.81 | K | Joback Calculated Property |
| Tfus | 271.02 | K | Joback Calculated Property |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.33; 275.65] | J/mol×K | [391.00; 582.81] |
|
| Cp,gas | 208.33 | J/mol×K | 391.00 | Joback Calculated Property |
| Cp,gas | 220.75 | J/mol×K | 422.97 | Joback Calculated Property |
| Cp,gas | 232.68 | J/mol×K | 454.94 | Joback Calculated Property |
| Cp,gas | 244.12 | J/mol×K | 486.91 | Joback Calculated Property |
| Cp,gas | 255.09 | J/mol×K | 518.88 | Joback Calculated Property |
| Cp,gas | 265.59 | J/mol×K | 550.85 | Joback Calculated Property |
| Cp,gas | 275.65 | J/mol×K | 582.81 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [297.60; 424.47] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50562e+01 | |||
| Coefficient B | -3.63431e+03 | |||
| Coefficient C | -5.15160e+01 | |||
| Temperature range, min. | 297.60 | |||
| Temperature range, max. | 424.47 | |||
| Pvap | 1.33 | kPa | 297.60 | Calculated Property |
| Pvap | 2.97 | kPa | 311.70 | Calculated Property |
| Pvap | 6.08 | kPa | 325.79 | Calculated Property |
| Pvap | 11.63 | kPa | 339.89 | Calculated Property |
| Pvap | 20.92 | kPa | 353.99 | Calculated Property |
| Pvap | 35.72 | kPa | 368.08 | Calculated Property |
| Pvap | 58.28 | kPa | 382.18 | Calculated Property |
| Pvap | 91.34 | kPa | 396.28 | Calculated Property |
| Pvap | 138.20 | kPa | 410.37 | Calculated Property |
| Pvap | 202.66 | kPa | 424.47 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methyl-3-heptyne.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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