- InChI
- InChI=1S/C4H5Cl/c1-2-3-4-5/h4H2,1H3
- InChI Key
- OKWUYBGGPXXFLS-UHFFFAOYSA-N
- Formula
- C4H5Cl
- SMILES
- CC#CCCl
- Molecular Weight1
- 88.54
- CAS
- 3355-17-7
- Other Names
-
- 1-Chloro-2-butyne
- ω : Acentric Factor.
- 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.
- 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 |
|---|---|---|---|
| ω | 0.1574 | Relay (... Calculated Property | |
| ΔfG° | 173.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 131.71 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.81 | kJ/mol | Relay (... Calculated Property |
| IE | 9.91 | eV | Relay (... Calculated Property |
| log10WS | -1.48 | Relay (... Calculated Property | |
| logPoct/wat | 1.249 | Crippen Calculated Property | |
| McVol | 70.860 | ml/mol | McGowan Calculated Property |
| Pc | 4571.55 | kPa | Joback Calculated Property |
| Inp | 723.00 | NIST | |
| Tboil | 376.30 | K | Relay (... Calculated Property |
| Tc | 552.74 | K | Relay (... Calculated Property |
| Tfus | 210.69 | K | Relay (... Calculated Property |
| Vc | 0.246 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [97.99; 127.67] | J/mol×K | [337.35; 537.54] | 
|
| Cp,gas | 97.99 | J/mol×K | 337.35 | Joback Calculated Property |
| Cp,gas | 103.44 | J/mol×K | 370.71 | Joback Calculated Property |
| Cp,gas | 108.69 | J/mol×K | 404.08 | Joback Calculated Property |
| Cp,gas | 113.73 | J/mol×K | 437.44 | Joback Calculated Property |
| Cp,gas | 118.57 | J/mol×K | 470.81 | Joback Calculated Property |
| Cp,gas | 123.21 | J/mol×K | 504.17 | Joback Calculated Property |
| Cp,gas | 127.67 | J/mol×K | 537.54 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 211.86] | kPa | [281.92; 398.69] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56080e+01 | |||
| Coefficient B | -3.61869e+03 | |||
| Coefficient C | -4.57200e+01 | |||
| Temperature range, min. | 281.92 | |||
| Temperature range, max. | 398.69 | |||
| Pvap | 1.33 | kPa | 281.92 | Calculated Property |
| Pvap | 2.96 | kPa | 294.89 | Calculated Property |
| Pvap | 6.07 | kPa | 307.87 | Calculated Property |
| Pvap | 11.65 | kPa | 320.84 | Calculated Property |
| Pvap | 21.06 | kPa | 333.82 | Calculated Property |
| Pvap | 36.19 | kPa | 346.79 | Calculated Property |
| Pvap | 59.46 | kPa | 359.77 | Calculated Property |
| Pvap | 93.92 | kPa | 372.74 | Calculated Property |
| Pvap | 143.26 | kPa | 385.72 | Calculated Property |
| Pvap | 211.86 | kPa | 398.69 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butyne, 1-chloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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