- InChI
- InChI=1S/C3H4/c1-3-2/h1H,2H3
- InChI Key
- MWWATHDPGQKSAR-UHFFFAOYSA-N
- Formula
- C3H4
- SMILES
- C#CC
- Molecular Weight1
- 40.06
- CAS
- 74-99-7
- Other Names
-
- 1-Propyne
- Acetylene, methyl-
- Allylene
- CH3C«equiv»CH
- CH3C«equiv»CH
- Methylacetylene
- Propine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- 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).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2150 | KDB | |
| PAff | 748.00 | kJ/mol | NIST |
| BasG | 723.00 | kJ/mol | NIST |
| μ | 0.70 | debye | KDB |
| ΔfG° | 194.60 | kJ/mol | KDB |
| Δc,grossH | 1924.64 | kJ/mol | KDB |
| Δc,netH | 1832.592 | kJ/mol | KDB |
| ΔfH°gas | [185.40; 185.60] | kJ/mol |
|
| ΔfH°gas | 185.60 | kJ/mol | KDB |
| ΔfH°gas | 185.40 ± 0.88 | kJ/mol | NIST |
| ΔfusH° | 6.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 22.13 | kJ/mol | Joback Calculated Property |
| IE | [10.35; 10.54] | eV |
|
| IE | 10.36 ± 0.01 | eV | NIST |
| IE | 10.37 | eV | NIST |
| IE | 10.37 ± 0.01 | eV | NIST |
| IE | 10.38 ± 0.01 | eV | NIST |
| IE | 10.37 ± 0.02 | eV | NIST |
| IE | 10.36 ± 0.01 | eV | NIST |
| IE | 10.37 | eV | NIST |
| IE | 10.36 | eV | NIST |
| IE | 10.37 ± 0.01 | eV | NIST |
| IE | 10.37 | eV | NIST |
| IE | 10.35 ± 0.01 | eV | NIST |
| IE | 10.36 ± 0.02 | eV | NIST |
| IE | 10.38 ± 0.02 | eV | NIST |
| IE | 10.37 ± 0.01 | eV | NIST |
| IE | Outlier 10.50 ± 0.10 | eV | NIST |
| IE | 10.36 | eV | NIST |
| IE | 10.36 ± 0.01 | eV | NIST |
| IE | 10.37 | eV | NIST |
| IE | Outlier 10.54 | eV | NIST |
| IE | 10.36 | eV | NIST |
| log10WS | -0.41 | Estimat... | |
| logPoct/wat | 0.639 | Crippen Calculated Property | |
| McVol | 44.530 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 4 | KDB | |
| NFPA Health | 2 | KDB | |
| NFPA Safety | 2 | KDB | |
| Pc | [5627.59; 5630.00] | kPa |
|
| Pc | 5630.00 | kPa | KDB |
| Pc | 5630.00 ± 20.00 | kPa | NIST |
| Pc | 5627.59 ± 5.06 | kPa | NIST |
| ρc | [244.91; 245.19] | kg/m3 |
|
| ρc | 245.19 ± 0.80 | kg/m3 | NIST |
| ρc | 244.91 ± 0.40 | kg/m3 | NIST |
| Inp | [297.00; 340.00] |
|
|
| Inp | 339.00 | NIST | |
| Inp | 323.60 | NIST | |
| Inp | 311.00 | NIST | |
| Inp | 316.00 | NIST | |
| Inp | 297.00 | NIST | |
| Inp | 299.00 | NIST | |
| Inp | 340.00 | NIST | |
| Inp | 328.00 | NIST | |
| Inp | 334.00 | NIST | |
| Inp | 339.00 | NIST | |
| Inp | 330.00 | NIST | |
| Inp | 299.00 | NIST | |
| Tboil | [244.70; 250.65] | K |
|
| Tboil | 249.90 | K | KDB |
| Tboil | 249.90 | K | NIST |
| Tboil | 250.00 | K | NIST |
| Tboil | 249.95 ± 1.00 | K | NIST |
| Tboil | 249.85 ± 1.00 | K | NIST |
| Tboil | 250.45 ± 1.00 | K | NIST |
| Tboil | 249.90 ± 0.30 | K | NIST |
| Tboil | 249.93 ± 0.30 | K | NIST |
| Tboil | 249.93 ± 0.20 | K | NIST |
| Tboil | 249.95 ± 0.50 | K | NIST |
| Tboil | 249.93 ± 0.20 | K | NIST |
| Tboil | 249.93 ± 0.30 | K | NIST |
| Tboil | 250.65 ± 1.50 | K | NIST |
| Tboil | 249.92 ± 0.10 | K | NIST |
| Tboil | 250.00 ± 1.00 | K | NIST |
| Tboil | 250.15 ± 1.00 | K | NIST |
| Tboil | 249.35 ± 0.50 | K | NIST |
| Tboil | 250.15 ± 1.50 | K | NIST |
| Tboil | Outlier 244.70 ± 0.30 | K | NIST |
| Tboil | 249.65 ± 0.50 | K | NIST |
| Tc | [401.10; 402.40] | K |
|
| Tc | 402.40 | K | KDB |
| Tc | 402.40 ± 0.20 | K | NIST |
| Tc | 402.38 ± 0.05 | K | NIST |
| Tc | 401.10 ± 0.50 | K | NIST |
| Tfus | 170.40 | K | KDB |
| Ttriple | 168.50 ± 0.30 | K | NIST |
| Vc | [0.164; 0.164] | m3/kmol |
|
| Vc | 0.164 | m3/kmol | KDB |
| Vc | 0.164 | m3/kmol | NIST |
| Zc | 0.2751260 | KDB | |
| Zra | 0.27 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [57.57; 69.12] | J/mol×K | [272.28; 369.21] |
|
| Cp,gas | 57.57 | J/mol×K | 272.28 | NIST |
| Cp,gas | 61.00 | J/mol×K | 299.59 | NIST |
| Cp,gas | 65.10 | J/mol×K | 332.83 | NIST |
| Cp,gas | 69.12 | J/mol×K | 369.21 | NIST |
| ΔvapH | [20.80; 23.90] | kJ/mol | [208.50; 380.50] |
|
| ΔvapH | 23.90 | kJ/mol | 208.50 | NIST |
| ΔvapH | 23.00 | kJ/mol | 220.00 | NIST |
| ΔvapH | 23.40 | kJ/mol | 222.00 | NIST |
| ΔvapH | 21.40 | kJ/mol | 230.00 | NIST |
| ΔvapH | 22.13 | kJ/mol | 249.80 | KDB |
| ΔvapH | 22.10 | kJ/mol | 275.00 | NIST |
| ΔvapH | 23.20 | kJ/mol | 277.50 | NIST |
| ΔvapH | 20.80 | kJ/mol | 329.50 | NIST |
| ΔvapH | 21.20 | kJ/mol | 332.00 | NIST |
| ΔvapH | 21.60 | kJ/mol | 361.50 | NIST |
| ΔvapH | 21.90 | kJ/mol | 380.50 | NIST |
| ρl | 706.00 | kg/m3 | 223.00 | KDB |
| γ | 0.02 | N/m | 203.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.41; 6142.72] | kPa | [170.50; 402.38] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44642e+01 | |||
| Coefficient B | -2.12600e+03 | |||
| Coefficient C | -3.20710e+01 | |||
| Temperature range, min. | 170.50 | |||
| Temperature range, max. | 402.38 | |||
| Pvap | 0.41 | kPa | 170.50 | Calculated Property |
| Pvap | 4.55 | kPa | 196.26 | Calculated Property |
| Pvap | 26.37 | kPa | 222.03 | Calculated Property |
| Pvap | 100.37 | kPa | 247.79 | Calculated Property |
| Pvap | 287.26 | kPa | 273.56 | Calculated Property |
| Pvap | 671.23 | kPa | 299.32 | Calculated Property |
| Pvap | 1350.99 | kPa | 325.09 | Calculated Property |
| Pvap | 2428.43 | kPa | 350.85 | Calculated Property |
| Pvap | 3998.64 | kPa | 376.62 | Calculated Property |
| Pvap | 6142.72 | kPa | 402.38 | Calculated Property |
| Pvap | [0.40; 5585.24] | kPa | [170.45; 402.39] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.57423e+01 | |||
| Coefficient B | -4.40094e+03 | |||
| Coefficient C | -8.01385e+00 | |||
| Coefficient D | 1.16420e-05 | |||
| Temperature range, min. | 170.45 | |||
| Temperature range, max. | 402.39 | |||
| Pvap | 0.40 | kPa | 170.45 | Calculated Property |
| Pvap | 4.28 | kPa | 196.22 | Calculated Property |
| Pvap | 24.42 | kPa | 221.99 | Calculated Property |
| Pvap | 91.66 | kPa | 247.76 | Calculated Property |
| Pvap | 258.54 | kPa | 273.53 | Calculated Property |
| Pvap | 596.27 | kPa | 299.31 | Calculated Property |
| Pvap | 1190.09 | kPa | 325.08 | Calculated Property |
| Pvap | 2137.99 | kPa | 350.85 | Calculated Property |
| Pvap | 3555.27 | kPa | 376.62 | Calculated Property |
| Pvap | 5585.24 | kPa | 402.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Propyne.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Joback Method
- KDB
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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