- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3
- InChI Key
- DQQNMIPXXNPGCV-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- CCC#CCC
- Molecular Weight1
- 82.14
- CAS
- 928-49-4
- Other Names
-
- C2H5C«equiv»CC2H5
- C2H5C«equiv»CC2H5
- DIETHYLACETYLENE
- Hex-3-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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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° | 202.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 105.40 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 14.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.10 | kJ/mol | Joback Calculated Property |
| IE | [9.32; 9.34] | eV |
|
| IE | 9.34 ± 0.05 | eV | NIST |
| IE | 9.32 ± 0.02 | eV | NIST |
| IE | 9.32 ± 0.01 | eV | NIST |
| log10WS | [-1.99; -1.99] |
|
|
| log10WS | -1.99 | Aq. Sol... | |
| log10WS | -1.99 | Estimat... | |
| logPoct/wat | 1.810 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3745.38 | kPa | Joback Calculated Property |
| Inp | [619.00; 640.00] |
|
|
| Inp | 619.80 | NIST | |
| Inp | 621.60 | NIST | |
| Inp | 623.00 | NIST | |
| Inp | 622.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 619.00 | NIST | |
| Inp | 624.00 | NIST | |
| Inp | 623.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 624.00 | NIST | |
| Inp | Outlier 640.00 | NIST | |
| Inp | 619.80 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | Outlier 640.00 | NIST | |
| I | [825.00; 843.00] |
|
|
| I | 825.00 | NIST | |
| I | 832.00 | NIST | |
| I | 829.00 | NIST | |
| I | 843.00 | NIST | |
| Tboil | [353.00; 354.95] | K |
|
| Tboil | 354.70 | K | NIST |
| Tboil | 354.60 | K | NIST |
| Tboil | 354.45 ± 0.50 | K | NIST |
| Tboil | 354.45 ± 0.50 | K | NIST |
| Tboil | 354.35 ± 0.50 | K | NIST |
| Tboil | 354.58 ± 0.30 | K | NIST |
| Tboil | 353.65 ± 1.00 | K | NIST |
| Tboil | 354.61 ± 0.30 | K | NIST |
| Tboil | 353.65 ± 1.00 | K | NIST |
| Tboil | 354.15 ± 1.50 | K | NIST |
| Tboil | 353.90 ± 1.00 | K | NIST |
| Tboil | 354.95 ± 0.50 | K | NIST |
| Tboil | Outlier 353.00 ± 3.00 | K | NIST |
| Tc | 534.57 | K | Joback Calculated Property |
| Tfus | [167.62; 172.15] | K |
|
| Tfus | 170.65 ± 0.30 | K | NIST |
| Tfus | 169.99 ± 0.30 | K | NIST |
| Tfus | 167.62 ± 0.10 | K | NIST |
| Tfus | 172.15 ± 1.50 | K | NIST |
| Vc | 0.334 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.04; 187.51] | J/mol×K | [345.68; 534.57] |
|
| Cp,gas | 138.04 | J/mol×K | 345.68 | Joback Calculated Property |
| Cp,gas | 147.09 | J/mol×K | 377.16 | Joback Calculated Property |
| Cp,gas | 155.80 | J/mol×K | 408.64 | Joback Calculated Property |
| Cp,gas | 164.19 | J/mol×K | 440.13 | Joback Calculated Property |
| Cp,gas | 172.27 | J/mol×K | 471.61 | Joback Calculated Property |
| Cp,gas | 180.04 | J/mol×K | 503.09 | Joback Calculated Property |
| Cp,gas | 187.51 | J/mol×K | 534.57 | Joback Calculated Property |
| Pvap | [1.61; 70.52] | kPa | [263.15; 343.15] |
|
| Pvap | 1.61 | kPa | 263.15 | Isother... |
| Pvap | 3.00 | kPa | 273.15 | Isother... |
| Pvap | 5.29 | kPa | 283.15 | Isother... |
| Pvap | 8.91 | kPa | 293.15 | Isother... |
| Pvap | 11.38 | kPa | 298.15 | Isother... |
| Pvap | 14.39 | kPa | 303.15 | Isother... |
| Pvap | 22.40 | kPa | 313.15 | Isother... |
| Pvap | 33.77 | kPa | 323.15 | Isother... |
| Pvap | 49.44 | kPa | 333.15 | Isother... |
| Pvap | 70.52 | kPa | 343.15 | Isother... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [254.66; 379.39] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41382e+01 | |||
| Coefficient B | -3.03515e+03 | |||
| Coefficient C | -3.55270e+01 | |||
| Temperature range, min. | 254.66 | |||
| Temperature range, max. | 379.39 | |||
| Pvap | 1.33 | kPa | 254.66 | Calculated Property |
| Pvap | 3.04 | kPa | 268.52 | Calculated Property |
| Pvap | 6.31 | kPa | 282.38 | Calculated Property |
| Pvap | 12.14 | kPa | 296.24 | Calculated Property |
| Pvap | 21.84 | kPa | 310.10 | Calculated Property |
| Pvap | 37.15 | kPa | 323.95 | Calculated Property |
| Pvap | 60.19 | kPa | 337.81 | Calculated Property |
| Pvap | 93.48 | kPa | 351.67 | Calculated Property |
| Pvap | 139.89 | kPa | 365.53 | Calculated Property |
| Pvap | 202.67 | kPa | 379.39 | Calculated Property |
| Pvap | [2.15e-04; 3645.82] | kPa | [170.05; 544.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 5.15224e+01 | |||
| Coefficient B | -5.47060e+03 | |||
| Coefficient C | -5.42965e+00 | |||
| Coefficient D | 3.16370e-06 | |||
| Temperature range, min. | 170.05 | |||
| Temperature range, max. | 544.00 | |||
| Pvap | 2.15e-04 | kPa | 170.05 | Calculated Property |
| Pvap | 0.04 | kPa | 211.60 | Calculated Property |
| Pvap | 1.07 | kPa | 253.15 | Calculated Property |
| Pvap | 10.60 | kPa | 294.70 | Calculated Property |
| Pvap | 55.80 | kPa | 336.25 | Calculated Property |
| Pvap | 194.87 | kPa | 377.80 | Calculated Property |
| Pvap | 515.58 | kPa | 419.35 | Calculated Property |
| Pvap | 1123.36 | kPa | 460.90 | Calculated Property |
| Pvap | 2129.38 | kPa | 502.45 | Calculated Property |
| Pvap | 3645.82 | kPa | 544.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexyne.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
- Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
- Isothermal vapor-liquid equilibria and excess enthalpies of binary mixtures of propyl ethanoate + 1-hexyne, +2-hexyne, +3-hexyne
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility 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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.