- InChI
- InChI=1S/C6H8/c1-3-5-6-4-2/h3,5H,1-2H3/b5-3+
- InChI Key
- MASVKQBLNPTZME-HWKANZROSA-N
- Formula
- C6H8
- SMILES
- CC#CC=CC
- Molecular Weight1
- 80.13
- CAS
- 14092-20-7
- Other Names
-
- Hex-2-en-4-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° | 282.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 222.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.06 | 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 | 3995.65 | kPa | Joback Calculated Property |
| Tboil | 359.40 ± 2.00 | K | NIST |
| Tc | 549.54 | K | Joback Calculated Property |
| Tfus | 258.40 | K | Joback Calculated Property |
| Vc | 0.314 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.85; 170.33] | J/mol×K | [349.84; 549.54] | 
|
| Cp,gas | 123.85 | J/mol×K | 349.84 | Joback Calculated Property |
| Cp,gas | 132.61 | J/mol×K | 383.12 | Joback Calculated Property |
| Cp,gas | 140.94 | J/mol×K | 416.41 | Joback Calculated Property |
| Cp,gas | 148.86 | J/mol×K | 449.69 | Joback Calculated Property |
| Cp,gas | 156.38 | J/mol×K | 482.97 | Joback Calculated Property |
| Cp,gas | 163.53 | J/mol×K | 516.26 | Joback Calculated Property |
| Cp,gas | 170.33 | J/mol×K | 549.54 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [269.32; 380.88] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55621e+01 | |||
| Coefficient B | -3.47694e+03 | |||
| Coefficient C | -4.16890e+01 | |||
| Temperature range, min. | 269.32 | |||
| Temperature range, max. | 380.88 | |||
| Pvap | 1.33 | kPa | 269.32 | Calculated Property |
| Pvap | 2.93 | kPa | 281.72 | Calculated Property |
| Pvap | 5.98 | kPa | 294.11 | Calculated Property |
| Pvap | 11.39 | kPa | 306.51 | Calculated Property |
| Pvap | 20.48 | kPa | 318.90 | Calculated Property |
| Pvap | 35.04 | kPa | 331.30 | Calculated Property |
| Pvap | 57.35 | kPa | 343.69 | Calculated Property |
| Pvap | 90.29 | kPa | 356.09 | Calculated Property |
| Pvap | 137.35 | kPa | 368.48 | Calculated Property |
| Pvap | 202.62 | kPa | 380.88 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexen-4-yne.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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