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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	60.63	kJ/mol	Joback Calculated Property
ΔfH°gas	34.42	kJ/mol	Joback Calculated Property
ΔfusH°	10.59	kJ/mol	Joback Calculated Property
ΔvapH°	38.81	kJ/mol	Joback Calculated Property
IE	[10.45; 10.51]	eV
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]
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]
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
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]
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...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.46079e+01
Coefficient B			-7.44693e+03
Coefficient C			-8.68936e+00
Coefficient D			6.86908e-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

Find more compounds similar to Propargyl alcohol.

Mixtures

• Propargyl alcohol + Water
• Propargyl alcohol + Diisopropyl ether + Water
• Propargyl alcohol + Acetic acid, butyl ester + Water
• Propargyl alcohol + n-Propyl acetate + Water
• Propargyl alcohol + Ethyl Acetate + Water
• Propargyl alcohol + Propane, 2-methoxy-2-methyl- + Water
• Propargyl alcohol + 2-Pentanol, 4-methyl- + Water
• Propargyl alcohol + Trichloromethane + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Liquid liquid equilibria of ternary mixture (propargyl alcohol + diisopropyl ether +water)
• Liquid liquid equilibrium of ternary mixture (propargyl alcohol +water + butyl acetate)
• Liquid-liquid equilibrium of the ternary system water p propargyl alcohol p n-propyl acetate
• Liquid-liquid equilibrium study for ternary systems of water + propargyl alcohol + solvents at 308.2 K: Measurement and thermodynamic modelling
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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