Chemical Properties of Benzoic acid, 3-fluoro- (CAS 455-38-9)

InChI

InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

InChI Key

MXNBDFWNYRNIBH-UHFFFAOYSA-N

Formula

C7H5FO2

SMILES

O=C(O)c1cccc(F)c1

Molecular Weight¹

140.11

CAS

455-38-9

Other Names

• 3-Fluorobenzoic acid
• Benzoic acid, m-fluoro-
• m-Fluorobenzoic acid
• meta-Fluorobenzoic acid

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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
ΔcH°solid	[-3085.90; -3066.10]	kJ/mol
ΔcH°solid	-3066.10 ± 0.84	kJ/mol	NIST
ΔcH°solid	-3085.90	kJ/mol	NIST
ΔfG°	-349.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.67	kJ/mol	Joback Calculated Property
ΔfH°solid	-582.20 ± 1.30	kJ/mol	NIST
ΔfusH°	16.31	kJ/mol	Joback Calculated Property
ΔsubH°	93.60 ± 0.60	kJ/mol	NIST
ΔvapH°	56.72	kJ/mol	Joback Calculated Property
IE	9.90 ± 0.20	eV	NIST
log10WS	-1.86		Crippen Calculated Property
logPoct/wat	1.524		Crippen Calculated Property
McVol	94.940	ml/mol	McGowan Calculated Property
Pc	4665.71	kPa	Joback Calculated Property
Tboil	536.54	K	Joback Calculated Property
Tc	736.94	K	Joback Calculated Property
Tfus	395.90	K	Thermoc...
Vc	0.362	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.46; 241.62]	J/mol×K	[536.54; 736.94]
Cp,gas	201.46	J/mol×K	536.54	Joback Calculated Property
Cp,gas	209.29	J/mol×K	569.94	Joback Calculated Property
Cp,gas	216.64	J/mol×K	603.34	Joback Calculated Property
Cp,gas	223.53	J/mol×K	636.74	Joback Calculated Property
Cp,gas	229.98	J/mol×K	670.14	Joback Calculated Property
Cp,gas	236.00	J/mol×K	703.54	Joback Calculated Property
Cp,gas	241.62	J/mol×K	736.94	Joback Calculated Property
ΔsubH	93.30 ± 0.50	kJ/mol	310.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[417.15; 515.49]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.66225e+01
Coefficient B			-1.09856e+04
Temperature range, min.			417.15
Temperature range, max.			515.49
Pvap	1.33	kPa	417.15	Calculated Property
Pvap	2.61	kPa	428.08	Calculated Property
Pvap	4.95	kPa	439.00	Calculated Property
Pvap	9.08	kPa	449.93	Calculated Property
Pvap	16.20	kPa	460.86	Calculated Property
Pvap	28.14	kPa	471.78	Calculated Property
Pvap	47.67	kPa	482.71	Calculated Property
Pvap	78.89	kPa	493.64	Calculated Property
Pvap	127.73	kPa	504.56	Calculated Property
Pvap	202.64	kPa	515.49	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-fluoro-.

Sources

• Crippen Method
• Crippen Method
• Thermochemistry of halogenobenzoic acids as an access to PC-SAFT solubility modeling
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.