Chemical Properties of 3,4-Difluorobenzyl alcohol, chlorodifluoroacetate

InChI

InChI=1S/C9H5ClF4O2/c10-9(13,14)8(15)16-4-5-1-2-6(11)7(12)3-5/h1-3H,4H2

InChI Key

NSHFCEVUGAOUBP-UHFFFAOYSA-N

Formula

C9H5ClF4O2

SMILES

O=C(OCc1ccc(F)c(F)c1)C(F)(F)Cl

Molecular Weight¹

256.58

• 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	0.4739		Relay (1.0) Calculated Property
ΔfG°	-904.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1024.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.22	kJ/mol	Joback Calculated Property
ΔvapH°	62.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-3.62		Relay (1.0) Calculated Property
logPoct/wat	2.840		Crippen Calculated Property
McVol	140.670	ml/mol	McGowan Calculated Property
Pc	2676.31	kPa	Joback Calculated Property
Inp	[1191.00; 1191.00]
Inp	1191.00		NIST
Inp	1191.00		NIST
Tboil	464.20	K	Relay (1.0) Calculated Property
Tc	662.24	K	Relay (1.0) Calculated Property
Tfus	238.04	K	Relay (1.0) Calculated Property
Vc	0.519	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.06; 366.62]	J/mol×K	[549.53; 744.04]
Cp,gas	317.06	J/mol×K	549.53	Joback Calculated Property
Cp,gas	326.81	J/mol×K	581.95	Joback Calculated Property
Cp,gas	335.93	J/mol×K	614.37	Joback Calculated Property
Cp,gas	344.45	J/mol×K	646.79	Joback Calculated Property
Cp,gas	352.39	J/mol×K	679.20	Joback Calculated Property
Cp,gas	359.77	J/mol×K	711.62	Joback Calculated Property
Cp,gas	366.62	J/mol×K	744.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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