- InChI
- InChI=1S/C6H8/c1-4-6(3)5-2/h1,5H,2-3H3/b6-5+
- InChI Key
- GRGVQLWQXHFRHO-AATRIKPKSA-N
- Formula
- C6H8
- SMILES
- C#CC(C)=CC
- Molecular Weight1
- 80.13
- CAS
- 1574-33-0
- Other Names
-
- 3-Methyl-3-penten-1-yne
- 3-methylpent-3-en-1-yne
- 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).
- 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° | 294.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 232.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.85 | kJ/mol | Joback Calculated Property |
| log10WS | -1.98 | Crippen Calculated Property | |
| logPoct/wat | 1.586 | Crippen Calculated Property | |
| McVol | 82.500 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| Tboil | 342.00 ± 2.00 | K | NIST |
| Tc | 520.04 | K | Joback Calculated Property |
| Tfus | 185.31 | K | Joback Calculated Property |
| Vc | 0.315 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.23; 171.23] | J/mol×K | [330.84; 520.04] | 
|
| Cp,gas | 125.23 | J/mol×K | 330.84 | Joback Calculated Property |
| Cp,gas | 134.04 | J/mol×K | 362.37 | Joback Calculated Property |
| Cp,gas | 142.36 | J/mol×K | 393.91 | Joback Calculated Property |
| Cp,gas | 150.21 | J/mol×K | 425.44 | Joback Calculated Property |
| Cp,gas | 157.63 | J/mol×K | 456.97 | Joback Calculated Property |
| Cp,gas | 164.62 | J/mol×K | 488.51 | Joback Calculated Property |
| Cp,gas | 171.23 | J/mol×K | 520.04 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [251.72; 363.95] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49869e+01 | |||
| Coefficient B | -3.17722e+03 | |||
| Coefficient C | -3.55730e+01 | |||
| Temperature range, min. | 251.72 | |||
| Temperature range, max. | 363.95 | |||
| Pvap | 1.33 | kPa | 251.72 | Calculated Property |
| Pvap | 2.97 | kPa | 264.19 | Calculated Property |
| Pvap | 6.10 | kPa | 276.66 | Calculated Property |
| Pvap | 11.66 | kPa | 289.13 | Calculated Property |
| Pvap | 20.98 | kPa | 301.60 | Calculated Property |
| Pvap | 35.82 | kPa | 314.07 | Calculated Property |
| Pvap | 58.41 | kPa | 326.54 | Calculated Property |
| Pvap | 91.48 | kPa | 339.01 | Calculated Property |
| Pvap | 138.31 | kPa | 351.48 | Calculated Property |
| Pvap | 202.64 | kPa | 363.95 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Penten-1-yne, 3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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