Chemical Properties of 4-Fluoro-3-nitrobenzyl alcohol, chlorodifluoroacetate

InChI

InChI=1S/C9H5ClF3NO4/c10-9(12,13)8(15)18-4-5-1-2-6(11)7(3-5)14(16)17/h1-3H,4H2

InChI Key

JPFVTMGBWZNPCG-UHFFFAOYSA-N

Formula

C9H5ClF3NO4

SMILES

O=C(OCc1ccc(F)c([N+](=O)[O-])c1)C(F)(F)Cl

Molecular Weight¹

283.59

• 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).
• 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).
• 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	0.6084		Relay (1.0) Calculated Property
ΔfG°	-673.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-839.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.50	kJ/mol	Joback Calculated Property
ΔvapH°	76.32	kJ/mol	Relay (1.0) Calculated Property
IE	10.12	eV	Relay (1.0) Calculated Property
log10WS	-4.08		Relay (1.0) Calculated Property
logPoct/wat	2.609		Crippen Calculated Property
McVol	156.320	ml/mol	McGowan Calculated Property
Pc	2841.41	kPa	Joback Calculated Property
Inp	[1604.00; 1604.00]
Inp	1604.00		NIST
Inp	1604.00		NIST
Tboil	525.84	K	Relay (1.0) Calculated Property
Tc	768.65	K	Relay (1.0) Calculated Property
Tfus	283.43	K	Relay (1.0) Calculated Property
Vc	0.555	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[392.88; 435.22]	J/mol×K	[702.10; 929.01]
Cp,gas	392.88	J/mol×K	702.10	Joback Calculated Property
Cp,gas	401.77	J/mol×K	739.92	Joback Calculated Property
Cp,gas	409.87	J/mol×K	777.74	Joback Calculated Property
Cp,gas	417.23	J/mol×K	815.56	Joback Calculated Property
Cp,gas	423.88	J/mol×K	853.38	Joback Calculated Property
Cp,gas	429.86	J/mol×K	891.19	Joback Calculated Property
Cp,gas	435.22	J/mol×K	929.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluoro-3-nitrobenzyl alcohol, chlorodifluoroacetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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