Chemical Properties of 1-Propyne, 1,3,3,3-tetrafluoro- (CAS 20174-11-2)

InChI

InChI=1S/C3F4/c4-2-1-3(5,6)7

InChI Key

JOZGZOAPSZHDKX-UHFFFAOYSA-N

Formula

C3F4

SMILES

FC#CC(F)(F)F

Molecular Weight¹

112.03

CAS

20174-11-2

Other Names

• Perfluoro(methylacetylene)
• Propyne, tetrafluoro-
• Tetrafluoropropyne

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[83.56; 142.73]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.76100e+01
Coefficient B			3.12000e-01
Coefficient C			-2.84660e-04
Coefficient D			9.77800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	83.56	J/mol×K	273.00	Calculated Property
Cp,gas	96.69	J/mol×K	353.78	Calculated Property
Cp,gas	107.46	J/mol×K	434.56	Calculated Property
Cp,gas	116.18	J/mol×K	515.33	Calculated Property
Cp,gas	123.16	J/mol×K	596.11	Calculated Property
Cp,gas	128.70	J/mol×K	676.89	Calculated Property
Cp,gas	133.12	J/mol×K	757.67	Calculated Property
Cp,gas	136.73	J/mol×K	838.44	Calculated Property
Cp,gas	139.83	J/mol×K	919.22	Calculated Property
Cp,gas	142.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[156.05; 239.13]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47481e+01
Coefficient B			-2.25653e+03
Coefficient C			0.00000e+00
Temperature range, min.			156.05
Temperature range, max.			239.13
Pvap	1.33	kPa	156.05	Calculated Property
Pvap	2.99	kPa	165.28	Calculated Property
Pvap	6.16	kPa	174.51	Calculated Property
Pvap	11.79	kPa	183.74	Calculated Property
Pvap	21.21	kPa	192.97	Calculated Property
Pvap	36.18	kPa	202.21	Calculated Property
Pvap	58.89	kPa	211.44	Calculated Property
Pvap	92.03	kPa	220.67	Calculated Property
Pvap	138.76	kPa	229.90	Calculated Property
Pvap	202.68	kPa	239.13	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propyne, 1,3,3,3-tetrafluoro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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