Chemical Properties of Benzene, 1-fluoro-4-methyl- (CAS 352-32-9)

InChI

InChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3

InChI Key

WRWPPGUCZBJXKX-UHFFFAOYSA-N

Formula

C7H7F

SMILES

Cc1ccc(F)cc1

Molecular Weight¹

110.13

CAS

352-32-9

Other Names

• 1-FLUORO-4-METHYLBENZENE
• 1-Methyl-4-fluorobenzene
• 4-FLUOROTOLUENE
• NSC 8861
• Toluene, 4-fluoro
• Toluene, p-fluoro-
• p-Fluoromethylbenzene
• p-Fluorotoluene
• para-Fluorotoluene

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fusH : Enthalpy of fusion at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	763.80	kJ/mol	NIST
BasG	736.10	kJ/mol	NIST
ΔcH°liquid	[-3777.90; -3747.20]	kJ/mol
ΔcH°liquid	-3747.20 ± 0.71	kJ/mol	NIST
ΔcH°liquid	-3777.90	kJ/mol	NIST
ΔfG°	-83.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-147.50 ± 0.08	kJ/mol	NIST
ΔfH°liquid	-186.90 ± 0.08	kJ/mol	NIST
ΔfusH°	10.62	kJ/mol	Joback Calculated Property
ΔvapH°	[39.40; 39.50]	kJ/mol
ΔvapH°	39.47	kJ/mol	NIST
ΔvapH°	39.50	kJ/mol	NIST
ΔvapH°	39.40 ± 0.08	kJ/mol	NIST
IE	[8.79; 8.79]	eV
IE	8.79 ± 0.01	eV	NIST
IE	8.79 ± 0.01	eV	NIST
IE	8.79 ± 0.01	eV	NIST
log10WS	-2.28		Crippen Calculated Property
logPoct/wat	2.134		Crippen Calculated Property
McVol	87.500	ml/mol	McGowan Calculated Property
Pc	3815.10	kPa	Joback Calculated Property
Inp	[756.00; 787.00]
Inp	Outlier 756.00		NIST
Inp	777.70		NIST
Inp	770.40		NIST
Inp	787.00		NIST
Inp	775.00		NIST
Inp	775.00		NIST
Inp	775.00		NIST
Inp	777.70		NIST
S°liquid	237.11	J/mol×K	NIST
Tboil	[389.00; 389.80]	K
Tboil	389.00	K	NIST
Tboil	389.80	K	NIST
Tboil	389.80	K	NIST
Tc	589.50	K	NIST
Tfus	215.60 ± 0.20	K	NIST
Ttriple	216.48 ± 0.01	K	NIST
Vc	0.338	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.93; 201.85]	J/mol×K	[390.49; 591.59]
Cp,gas	147.93	J/mol×K	390.49	Joback Calculated Property
Cp,gas	158.20	J/mol×K	424.01	Joback Calculated Property
Cp,gas	167.93	J/mol×K	457.52	Joback Calculated Property
Cp,gas	177.14	J/mol×K	491.04	Joback Calculated Property
Cp,gas	185.85	J/mol×K	524.56	Joback Calculated Property
Cp,gas	194.09	J/mol×K	558.07	Joback Calculated Property
Cp,gas	201.85	J/mol×K	591.59	Joback Calculated Property
Cp,liquid	[171.17; 173.70]	J/mol×K	[298.15; 298.15]
Cp,liquid	173.70	J/mol×K	298.15	NIST
Cp,liquid	172.30	J/mol×K	298.15	NIST
Cp,liquid	171.17	J/mol×K	298.15	NIST
ΔfusH	[7.65; 9.35]	kJ/mol	[213.00; 216.50]
ΔfusH	7.65	kJ/mol	213.00	NIST
ΔfusH	8.80	kJ/mol	215.55	NIST
ΔfusH	9.35	kJ/mol	216.49	NIST
ΔfusH	9.35	kJ/mol	216.50	NIST
ΔfusH	9.35	kJ/mol	216.50	NIST
ΔvapH	[34.08; 37.00]	kJ/mol	[384.50; 389.80]
ΔvapH	37.00	kJ/mol	384.50	NIST
ΔvapH	34.08	kJ/mol	389.80	NIST
ΔfusS	[41.00; 43.19]	J/mol×K	[215.55; 216.49]
ΔfusS	41.00	J/mol×K	215.55	NIST
ΔfusS	43.19	J/mol×K	216.49	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[285.71; 415.65]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44160e+01
Coefficient B			-3.32702e+03
Coefficient C			-5.02270e+01
Temperature range, min.			285.71
Temperature range, max.			415.65
Pvap	1.33	kPa	285.71	Calculated Property
Pvap	3.02	kPa	300.15	Calculated Property
Pvap	6.24	kPa	314.59	Calculated Property
Pvap	11.97	kPa	329.02	Calculated Property
Pvap	21.54	kPa	343.46	Calculated Property
Pvap	36.69	kPa	357.90	Calculated Property
Pvap	59.57	kPa	372.34	Calculated Property
Pvap	92.78	kPa	386.77	Calculated Property
Pvap	139.34	kPa	401.21	Calculated Property
Pvap	202.64	kPa	415.65	Calculated Property
Pvap	[19.40; 3822.83]	kPa	[340.15; 590.48]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.64576e+01
Coefficient B			-7.14432e+03
Coefficient C			-9.12454e+00
Coefficient D			6.06129e-06
Temperature range, min.			340.15
Temperature range, max.			590.48
Pvap	19.40	kPa	340.15	Calculated Property
Pvap	52.19	kPa	367.96	Calculated Property
Pvap	119.49	kPa	395.78	Calculated Property
Pvap	241.52	kPa	423.59	Calculated Property
Pvap	442.94	kPa	451.41	Calculated Property
Pvap	752.45	kPa	479.22	Calculated Property
Pvap	1203.06	kPa	507.04	Calculated Property
Pvap	1833.05	kPa	534.85	Calculated Property
Pvap	2687.84	kPa	562.67	Calculated Property
Pvap	3822.83	kPa	590.48	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-fluoro-4-methyl-.

Sources

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

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