Chemical Properties of (Trifluoromethyl)acetylene (CAS 661-54-1)

InChI

InChI=1S/C3HF3/c1-2-3(4,5)6/h1H

InChI Key

PRDFNJUWGIQQBW-UHFFFAOYSA-N

Formula

C3HF3

SMILES

C#CC(F)(F)F

Molecular Weight¹

94.04

CAS

661-54-1

Other Names

• 1,1,1-Trifluoropropyne
• 1-Propyne, 3,3,3-trifluoro-
• 3,3,3-Trifluoro-1-propyne
• 3,3,3-Trifluoropropyne
• CF3C«equiv»CH
• CF3C«equiv»CH
• Propyne, 3,3,3-trifluoro-

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	-384.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.43	kJ/mol	Joback Calculated Property
ΔfusH°	8.33	kJ/mol	Joback Calculated Property
ΔvapH°	18.38	kJ/mol	Joback Calculated Property
IE	[11.83; 11.96]	eV
IE	11.96 ± 0.02	eV	NIST
IE	11.83	eV	NIST
log10WS	-1.54		Crippen Calculated Property
logPoct/wat	1.182		Crippen Calculated Property
McVol	49.840	ml/mol	McGowan Calculated Property
Pc	4602.62	kPa	Joback Calculated Property
Tboil	252.74	K	Joback Calculated Property
Tc	404.30	K	Joback Calculated Property
Tfus	174.73	K	Joback Calculated Property
Vc	0.208	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[77.10; 102.16]	J/mol×K	[252.74; 404.30]
Cp,gas	77.10	J/mol×K	252.74	Joback Calculated Property
Cp,gas	82.02	J/mol×K	278.00	Joback Calculated Property
Cp,gas	86.63	J/mol×K	303.26	Joback Calculated Property
Cp,gas	90.93	J/mol×K	328.52	Joback Calculated Property
Cp,gas	94.95	J/mol×K	353.78	Joback Calculated Property
Cp,gas	98.69	J/mol×K	379.04	Joback Calculated Property
Cp,gas	102.16	J/mol×K	404.30	Joback Calculated Property
ΔvapH	21.50	kJ/mol	175.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[163.35; 242.10]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57334e+01
Coefficient B			-2.52312e+03
Temperature range, min.			163.35
Temperature range, max.			242.10
Pvap	1.33	kPa	163.35	Calculated Property
Pvap	2.92	kPa	172.10	Calculated Property
Pvap	5.94	kPa	180.85	Calculated Property
Pvap	11.31	kPa	189.60	Calculated Property
Pvap	20.35	kPa	198.35	Calculated Property
Pvap	34.82	kPa	207.10	Calculated Property
Pvap	57.06	kPa	215.85	Calculated Property
Pvap	89.98	kPa	224.60	Calculated Property
Pvap	137.11	kPa	233.35	Calculated Property
Pvap	202.67	kPa	242.10	Calculated Property

Similar Compounds

Find more compounds similar to (Trifluoromethyl)acetylene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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