Chemical Properties of acetyl fluoride (CAS 557-99-3)

InChI

InChI=1S/C2H3FO/c1-2(3)4/h1H3

InChI Key

JUCMRTZQCZRJDC-UHFFFAOYSA-N

Formula

C2H3FO

SMILES

CC(=O)F

Molecular Weight¹

62.04

CAS

557-99-3

• ω : Acentric Factor.
• 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_fH°_liquid : Liquid phase 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_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
ω	0.2969		Relay (1.0) Calculated Property
ΔfG°	-357.77	kJ/mol	Joback Calculated Property
ΔfH°gas	[-445.00; -437.60]	kJ/mol
ΔfH°gas	-445.00 ± 2.00	kJ/mol	NIST
ΔfH°gas	-437.60	kJ/mol	NIST
ΔfH°liquid	[-470.30; -463.00]	kJ/mol
ΔfH°liquid	-466.39 ± 0.08	kJ/mol	NIST
ΔfH°liquid	-470.30 ± 0.40	kJ/mol	NIST
ΔfH°liquid	-463.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-466.39 ± 0.08	kJ/mol	NIST
ΔfH°liquid	-470.30 ± 0.40	kJ/mol	NIST
ΔfusH°	5.62	kJ/mol	Joback Calculated Property
ΔvapH°	[25.00; 30.00]	kJ/mol
ΔvapH°	25.00 ± 2.00	kJ/mol	NIST
ΔvapH°	30.00	kJ/mol	NIST
IE	11.51 ± 0.02	eV	NIST
log10WS	0.46		Relay (1.0) Calculated Property
logPoct/wat	0.502		Crippen Calculated Property
McVol	42.380	ml/mol	McGowan Calculated Property
Pc	5160.85	kPa	Joback Calculated Property
Tboil	[293.00; 295.00]	K
Tboil	293.00	K	NIST
Tboil	294.00	K	NIST
Tboil	293.50 ± 0.50	K	NIST
Tboil	295.00 ± 2.00	K	NIST
Tc	433.98	K	Relay (1.0) Calculated Property
Tfus	140.38	K	Relay (1.0) Calculated Property
Vc	0.166	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[60.41; 80.23]	J/mol×K	[298.50; 465.68]
Cp,gas	60.41	J/mol×K	298.50	Joback Calculated Property
Cp,gas	64.00	J/mol×K	326.36	Joback Calculated Property
Cp,gas	67.47	J/mol×K	354.23	Joback Calculated Property
Cp,gas	70.82	J/mol×K	382.09	Joback Calculated Property
Cp,gas	74.07	J/mol×K	409.96	Joback Calculated Property
Cp,gas	77.20	J/mol×K	437.82	Joback Calculated Property
Cp,gas	80.23	J/mol×K	465.68	Joback Calculated Property
ΔvapH	14.30	kJ/mol	238.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[169.18; 336.80]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			9.69684e+00
Coefficient B			-1.37669e+03
Coefficient C			-2.28680e+01
Temperature range, min.			169.18
Temperature range, max.			336.80
Pvap	1.33	kPa	169.18	Calculated Property
Pvap	3.86	kPa	187.80	Calculated Property
Pvap	9.00	kPa	206.43	Calculated Property
Pvap	17.95	kPa	225.05	Calculated Property
Pvap	31.88	kPa	243.68	Calculated Property
Pvap	51.78	kPa	262.30	Calculated Property
Pvap	78.42	kPa	280.93	Calculated Property
Pvap	112.30	kPa	299.55	Calculated Property
Pvap	153.69	kPa	318.18	Calculated Property
Pvap	202.66	kPa	336.80	Calculated Property

Similar Compounds

Find more compounds similar to acetyl fluoride.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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