- InChI
- InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2
- InChI Key
- WFYPICNXBKQZGB-UHFFFAOYSA-N
- Formula
- C4H4
- SMILES
- C#CC=C
- Molecular Weight1
- 52.07
- CAS
- 689-97-4
- Other Names
-
- 1-BUTEN-3-YEN
- 1-Butene-3-yne
- 1-Butenyne
- 1-Butyn-3-ene
- 3-Buten-1-yne
- BUTENYNE
- But-1-en-3-yne
- Buten-3-yne
- ETHYNYLETHENE
- Ethene, ethynyl-
- Monovinylacetylene
- Vinylacetylene
- Vinylethyne
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.0920 | KDB | |
| ΔcH°liquid | -2380.00 | kJ/mol | NIST |
| ΔfG° | 306.20 | kJ/mol | KDB |
| ΔfH°gas | [295.00; 304.80] | kJ/mol |
|
| ΔfH°gas | 304.80 | kJ/mol | KDB |
| ΔfH°gas | 295.00 | kJ/mol | NIST |
| ΔfusH° | 7.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 23.69 | kJ/mol | Joback Calculated Property |
| IE | [9.58; 9.90] | eV |
|
| IE | 9.58 ± 0.02 | eV | NIST |
| IE | 9.58 ± 0.02 | eV | NIST |
| IE | 9.58 ± 0.02 | eV | NIST |
| IE | 9.58 ± 0.02 | eV | NIST |
| IE | 9.63 | eV | NIST |
| IE | 9.90 | eV | NIST |
| IE | 9.90 | eV | NIST |
| IE | 9.87 | eV | NIST |
| IE | 9.90 | eV | NIST |
| IE | 9.90 | eV | NIST |
| IE | 9.64 ± 0.03 | eV | NIST |
| log10WS | -1.15 | Crippen Calculated Property | |
| logPoct/wat | 0.806 | Crippen Calculated Property | |
| McVol | 54.320 | ml/mol | McGowan Calculated Property |
| Pc | 4960.00 | kPa | KDB |
| Inp | [373.00; 410.00] |
|
|
| Inp | 373.00 | NIST | |
| Inp | 373.00 | NIST | |
| Inp | 374.00 | NIST | |
| Inp | 374.00 | NIST | |
| Inp | 407.15 | NIST | |
| Inp | 404.00 | NIST | |
| Inp | 410.00 | NIST | |
| Tboil | [276.15; 278.10] | K |
|
| Tboil | 278.10 | K | KDB |
| Tboil | 276.15 ± 3.00 | K | NIST |
| Tc | 455.00 | K | KDB |
| Tfus | 227.60 | K | KDB |
| Vc | 0.202 | m3/kmol | KDB |
| Zc | 0.2648410 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [70.14; 95.56] | J/mol×K | [277.72; 454.49] |
|
| Cp,gas | 70.14 | J/mol×K | 277.72 | Joback Calculated Property |
| Cp,gas | 74.98 | J/mol×K | 307.18 | Joback Calculated Property |
| Cp,gas | 79.56 | J/mol×K | 336.64 | Joback Calculated Property |
| Cp,gas | 83.89 | J/mol×K | 366.11 | Joback Calculated Property |
| Cp,gas | 88.00 | J/mol×K | 395.57 | Joback Calculated Property |
| Cp,gas | 91.89 | J/mol×K | 425.03 | Joback Calculated Property |
| Cp,gas | 95.56 | J/mol×K | 454.49 | Joback Calculated Property |
| ΔvapH | [24.48; 26.00] | kJ/mol | [229.00; 278.10] |
|
| ΔvapH | 26.00 | kJ/mol | 229.00 | NIST |
| ΔvapH | 24.48 | kJ/mol | 278.10 | KDB |
| ρl | 710.00 | kg/m3 | 273.00 | KDB |
| γ | 0.02 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 223.95] | kPa | [205.72; 297.13] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.35875e+01 | |||
| Coefficient B | -1.93992e+03 | |||
| Coefficient C | -5.98620e+01 | |||
| Temperature range, min. | 205.72 | |||
| Temperature range, max. | 297.13 | |||
| Pvap | 1.33 | kPa | 205.72 | Calculated Property |
| Pvap | 3.17 | kPa | 215.88 | Calculated Property |
| Pvap | 6.78 | kPa | 226.03 | Calculated Property |
| Pvap | 13.27 | kPa | 236.19 | Calculated Property |
| Pvap | 24.17 | kPa | 246.35 | Calculated Property |
| Pvap | 41.36 | kPa | 256.50 | Calculated Property |
| Pvap | 67.14 | kPa | 266.66 | Calculated Property |
| Pvap | 104.16 | kPa | 276.82 | Calculated Property |
| Pvap | 155.36 | kPa | 286.97 | Calculated Property |
| Pvap | 223.95 | kPa | 297.13 | Calculated Property |
| Pvap | [0.14; 4773.01] | kPa | [179.95; 454.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.14672e+01 | |||
| Coefficient B | -5.12322e+03 | |||
| Coefficient C | -8.71388e+00 | |||
| Coefficient D | 7.76544e-06 | |||
| Temperature range, min. | 179.95 | |||
| Temperature range, max. | 454.00 | |||
| Pvap | 0.14 | kPa | 179.95 | Calculated Property |
| Pvap | 2.34 | kPa | 210.40 | Calculated Property |
| Pvap | 17.42 | kPa | 240.85 | Calculated Property |
| Pvap | 75.86 | kPa | 271.30 | Calculated Property |
| Pvap | 231.15 | kPa | 301.75 | Calculated Property |
| Pvap | 550.88 | kPa | 332.20 | Calculated Property |
| Pvap | 1103.81 | kPa | 362.65 | Calculated Property |
| Pvap | 1952.70 | kPa | 393.10 | Calculated Property |
| Pvap | 3155.54 | kPa | 423.55 | Calculated Property |
| Pvap | 4773.01 | kPa | 454.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Buten-3-yne.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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