Chemical Properties of Propargyl alcohol (CAS 107-19-7)

Propargyl alcohol

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InChI
InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2
InChI Key
TVDSBUOJIPERQY-UHFFFAOYSA-N
Formula
C3H4O
SMILES
C#CCO
Molecular Weight1
56.06
CAS
107-19-7
Other Names
  • 1-Hydroxy-2-propyne
  • 1-Propyn-3-ol
  • 1-Propyn-3-yl alcohol
  • 1-Propyne-3-ol
  • 2-Propyn-1-ol
  • 2-Propynol
  • 2-Propynyl alcohol
  • 2-propyn-1-ol (propargyl alcohol)
  • 3-Hydroxy-1-propyne
  • 3-Propynol
  • Ethynyl carbinol
  • HC«equiv»CCH2OH
  • HC«equiv»CCH2OH
  • Methanol, ethynyl-
  • NSC 8804
  • Propynyl alcohol
  • Rcra waste number P102
  • prop-2-yn-1-ol
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Physical Properties

Property Value Unit Source
Δf 60.63 kJ/mol Joback Calculated Property
Δfgas 34.42 kJ/mol Joback Calculated Property
Δfus 10.59 kJ/mol Joback Calculated Property
Δvap 38.81 kJ/mol Joback Calculated Property
IE [10.45; 10.51] eV Show Hide
IE 10.50 eV NIST
IE 10.51 eV NIST
IE 10.50 eV NIST
IE 10.45 eV NIST
log10WS -0.14 Crippen Calculated Property
logPoct/wat -0.388 Crippen Calculated Property
McVol 50.400 ml/mol McGowan Calculated Property
Pc 6239.25 kPa Joback Calculated Property
Inp [546.00; 576.00]   Show Hide
Inp 576.00 NIST
Inp 559.00 NIST
Inp 552.00 NIST
Inp 576.00 NIST
Inp 559.00 NIST
Inp 569.00 NIST
Inp 552.00 NIST
Inp 546.00 NIST
Inp 559.00 NIST
Inp 566.00 NIST
Inp 546.00 NIST
I [1320.00; 1357.00]   Show Hide
I 1343.00 NIST
I 1334.00 NIST
I 1352.00 NIST
I 1343.00 NIST
I 1334.00 NIST
I 1352.00 NIST
I 1320.00 NIST
I 1357.00 NIST
Tboil [385.00; 387.50] K Show Hide
Tboil 387.50 ± 0.50 K NIST
Tboil 386.80 K NIST
Tboil 386.75 ± 0.50 K NIST
Tboil 385.00 ± 3.00 K NIST
Tc 523.88 K Joback Calculated Property
Tfus 221.35 ± 0.30 K NIST
Vc 0.184 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [81.35; 101.24] J/mol×K [350.34; 523.88] Show Hide
Cp,gas 81.35 J/mol×K 350.34 Joback Calculated Property
Cp,gas 85.08 J/mol×K 379.26 Joback Calculated Property
Cp,gas 88.64 J/mol×K 408.19 Joback Calculated Property
Cp,gas 92.02 J/mol×K 437.11 Joback Calculated Property
Cp,gas 95.25 J/mol×K 466.04 Joback Calculated Property
Cp,gas 98.32 J/mol×K 494.96 Joback Calculated Property
Cp,gas 101.24 J/mol×K 523.88 Joback Calculated Property
ΔvapH 42.00 kJ/mol 340.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [3.63e-03; 6558.50] kPa [221.35; 580.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.46079e+01
Coefficient B-7.44693e+03
Coefficient C-8.68936e+00
Coefficient D6.86908e-06
Temperature range, min.221.35
Temperature range, max.580.00
Pvap 3.63e-03 kPa 221.35 Calculated Property
Pvap 0.17 kPa 261.20 Calculated Property
Pvap 2.46 kPa 301.05 Calculated Property
Pvap 17.97 kPa 340.90 Calculated Property
Pvap 82.41 kPa 380.75 Calculated Property
Pvap 275.69 kPa 420.60 Calculated Property
Pvap 739.66 kPa 460.45 Calculated Property
Pvap 1696.22 kPa 500.30 Calculated Property
Pvap 3474.37 kPa 540.15 Calculated Property
Pvap 6558.50 kPa 580.00 Calculated Property

Similar Compounds

2,4-Hexadiyne-1,6-diol. 2-Butyn-1-ol. 2-Butyne-1,4-diol. Acetonitrile, hydroxy-. CH2CH2OH. Methyl propargyl ether. Propargyl radical. 1-Propyne, 3,3'-oxybis-. [2H6]ethanol. Ethanol-d1. C2H3D3O. Ethanol. Ethanol-d5. Ethanol-1,1-d2. 1,2-Ethanediol.

Find more compounds similar to Propargyl alcohol.

Mixtures

Sources

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