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
  • CH3C«equiv»CH
  • Methylacetylene
  • Propine
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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
Δf 194.60 kJ/mol KDB
Δc,grossH 1924.64 kJ/mol KDB
Δc,netH 1832.592 kJ/mol KDB
Δfgas [185.40; 185.60] kJ/mol Show Hide
Δfgas 185.60 kJ/mol KDB
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
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 Show Hide
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 Show Hide
ρc 245.19 ± 0.80 kg/m3 NIST
ρc 244.91 ± 0.40 kg/m3 NIST
Inp [297.00; 340.00]   Show Hide
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 Show Hide
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 Show Hide
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 Show Hide
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] 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
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... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.44642e+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... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.57423e+01
Coefficient B-4.40094e+03
Coefficient C-8.01385e+00
Coefficient D1.16420e-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

Propyne-d4. Propyne-3,3,3-d1. Propargyl radical. 2-Propynylidyne. Propynylidene. 2-Butyne. But-2-yn-1-yl radical. 1,3-Pentadiyne. 1-Propyne, 3-chloro-. Cyanopropyne. 1-Propyne, 3-bromo-. 2,4-Hexadiyne. CH3-CC-CC-CH2. 1-Propyne, 3-iodo-. Propyne, 3-fluoro-.

Find more compounds similar to Propyne.

Sources

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