Chemical Properties of Propane, 2-fluoro-2-methyl- (CAS 353-61-7)

InChI

InChI=1S/C4H9F/c1-4(2,3)5/h1-3H3

InChI Key

GSMZLBOYBDRGBN-UHFFFAOYSA-N

Formula

C4H9F

SMILES

CC(C)(C)F

Molecular Weight¹

76.11

CAS

353-61-7

Other Names

• 2-Fluoro-2-methylpropane
• tert-Butyl Fluoride

• 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_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).
• 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.
• 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	0.2004		Relay (1.0) Calculated Property
ΔfG°	-209.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-365.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	1.78	kJ/mol	Joback Calculated Property
ΔvapH°	19.37	kJ/mol	Relay (1.0) Calculated Property
IE	10.94	eV	Relay (1.0) Calculated Property
logPoct/wat	1.754		Crippen Calculated Property
McVol	68.990	ml/mol	McGowan Calculated Property
Pc	3773.04	kPa	Joback Calculated Property
Inp	[432.00; 432.00]
Inp	432.00		NIST
Inp	432.00		NIST
Tboil	280.47	K	Relay (1.0) Calculated Property
Tc	422.22	K	Relay (1.0) Calculated Property
Tfus	218.11	K	Relay (1.0) Calculated Property
Vc	0.260	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[101.74; 148.43]	J/mol×K	[286.96; 449.51]
Cp,gas	101.74	J/mol×K	286.96	Joback Calculated Property
Cp,gas	110.49	J/mol×K	314.05	Joback Calculated Property
Cp,gas	118.83	J/mol×K	341.14	Joback Calculated Property
Cp,gas	126.78	J/mol×K	368.23	Joback Calculated Property
Cp,gas	134.35	J/mol×K	395.33	Joback Calculated Property
Cp,gas	141.57	J/mol×K	422.42	Joback Calculated Property
Cp,gas	148.43	J/mol×K	449.51	Joback Calculated Property
ΔvapH	27.60	kJ/mol	268.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.66; 202.64]	kPa	[196.15; 310.23]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.35144e+01
Coefficient B			-2.27566e+03
Coefficient C			-3.28110e+01
Temperature range, min.			196.15
Temperature range, max.			310.23
Pvap	0.66	kPa	196.15	Calculated Property
Pvap	1.80	kPa	208.83	Calculated Property
Pvap	4.28	kPa	221.50	Calculated Property
Pvap	9.15	kPa	234.18	Calculated Property
Pvap	17.86	kPa	246.85	Calculated Property
Pvap	32.36	kPa	259.53	Calculated Property
Pvap	55.06	kPa	272.20	Calculated Property
Pvap	88.80	kPa	284.88	Calculated Property
Pvap	136.82	kPa	297.55	Calculated Property
Pvap	202.64	kPa	310.23	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2-fluoro-2-methyl-.

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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