Chemical Properties of Propyne (CAS 74-99-7)

Propyne

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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
  • Methylacetylene
  • Propine
Sources

Physical Properties

Property Value Unit Source
PAff 748.00 kJ/mol NIST
BasG 723.00 kJ/mol NIST
Δf 197.45 kJ/mol Joback Calculated Property
Δfgas 185.40 ± 0.88 kJ/mol NIST
Δfus 6.50 kJ/mol Joback Calculated Property
Δvap 22.13 kJ/mol Joback Calculated Property
IE [10.35; 10.54] eV Show Hide
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
logPoct/wat 0.64 Crippen Calculated Property
Pc 5630.00 ± 20.00 kPa NIST
Pc 5627.59 ± 5.06 kPa NIST
Tboil [244.70; 250.65] K Show Hide
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 402.40 ± 0.20 K NIST
Tc 402.38 ± 0.05 K NIST
Tc 401.10 ± 0.50 K NIST
Tfus [169.50; 170.49] K Show Hide
Tfus 170.49 ± 0.30 K NIST
Tfus 170.21 ± 0.40 K NIST
Tfus 170.21 ± 0.50 K NIST
Tfus Outlier 169.50 ± 0.10 K NIST
Tfus 170.21 ± 0.30 K NIST
Tfus 170.41 ± 0.10 K NIST
Ttriple 168.50 ± 0.30 K NIST
Vc 0.16 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [57.57; 69.12] J/mol×K [272.28; 369.21] Show Hide
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] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 23.90 kJ/mol 208.5 NIST
ΔvapH 23.00 kJ/mol 220.0 NIST
ΔvapH 23.40 kJ/mol 222.0 NIST
ΔvapH 21.40 kJ/mol 230.0 NIST
ΔvapH 22.10 kJ/mol 275.0 NIST
ΔvapH 23.20 kJ/mol 277.5 NIST
ΔvapH 20.80 kJ/mol 329.5 NIST
ΔvapH 21.20 kJ/mol 332.0 NIST
ΔvapH 21.60 kJ/mol 361.5 NIST
ΔvapH 21.90 kJ/mol 380.5 NIST

Molecular Descriptors

Joback and Reid Groups
#C- 1
-CH3 1
#CH 1

Similar Compounds

Propynylidene. 2-Propynylidyne. Propargyl radical. But-2-yn-1-yl radical. 1,3-Butadiyne. Butadiynyl. 2-Butyne. 1-Butyn-3-yl radical. 1-Butyne. Cyanoethynyl radical. 1-Propyne, 3-iodo-. Phosphine, 1-propynyl-. 1-Propyne, 3-bromo-. 1-Buten-3-yne. 2-propyne-1-thiol.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.