- InChI
- InChI=1S/C10H18/c1-5-6-7-8-9-10(2,3)4/h5-7H2,1-4H3
- InChI Key
- XBLMXBDWMYMTLK-UHFFFAOYSA-N
- Formula
- C10H18
- SMILES
- CCCCC#CC(C)(C)C
- Molecular Weight1
- 138.25
- CAS
- 19482-57-6
- Other Names
-
- 2,2-Dimethyl-3-octyne
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 48.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.226 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Tboil | 412.88 | K | Relay (1.0) Calculated Property |
| Tfus | 166.96 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.52; 374.64] | J/mol×K | [434.17; 630.93] | 
|
| Cp,gas | 290.52 | J/mol×K | 434.17 | Joback Calculated Property |
| Cp,gas | 306.46 | J/mol×K | 466.96 | Joback Calculated Property |
| Cp,gas | 321.58 | J/mol×K | 499.76 | Joback Calculated Property |
| Cp,gas | 335.93 | J/mol×K | 532.55 | Joback Calculated Property |
| Cp,gas | 349.53 | J/mol×K | 565.34 | Joback Calculated Property |
| Cp,gas | 362.43 | J/mol×K | 598.14 | Joback Calculated Property |
| Cp,gas | 374.64 | J/mol×K | 630.93 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [328.92; 476.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44054e+01 | |||
| Coefficient B | -3.76269e+03 | |||
| Coefficient C | -6.24000e+01 | |||
| Temperature range, min. | 328.92 | |||
| Temperature range, max. | 476.16 | |||
| Pvap | 1.33 | kPa | 328.92 | Calculated Property |
| Pvap | 3.02 | kPa | 345.28 | Calculated Property |
| Pvap | 6.24 | kPa | 361.64 | Calculated Property |
| Pvap | 11.98 | kPa | 378.00 | Calculated Property |
| Pvap | 21.56 | kPa | 394.36 | Calculated Property |
| Pvap | 36.71 | kPa | 410.72 | Calculated Property |
| Pvap | 59.60 | kPa | 427.08 | Calculated Property |
| Pvap | 92.82 | kPa | 443.44 | Calculated Property |
| Pvap | 139.37 | kPa | 459.80 | Calculated Property |
| Pvap | 202.66 | kPa | 476.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octyne, 2,2-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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