Chemical Properties of 2-Fluorobenzyl acetate (CAS 102606-96-2)

InChI

InChI=1S/C9H9FO2/c1-7(11)12-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3

InChI Key

LVEUCRHYUFCCSC-UHFFFAOYSA-N

Formula

C9H9FO2

SMILES

CC(=O)OCc1ccccc1F

Molecular Weight¹

168.16

CAS

102606-96-2

Other Names

• (2-Fluorophenyl)methyl acetate
• Acetic acid, (2-fluorophenyl)methyl ester

• 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).
• 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
ΔfG°	-301.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-444.94	kJ/mol	Joback Calculated Property
ΔfusH°	18.59	kJ/mol	Joback Calculated Property
ΔvapH°	46.91	kJ/mol	Joback Calculated Property
log10WS	-2.38		Crippen Calculated Property
logPoct/wat	1.889		Crippen Calculated Property
McVol	123.120	ml/mol	McGowan Calculated Property
Pc	3210.04	kPa	Joback Calculated Property
Inp	[1171.00; 1182.00]
Inp	1171.00		NIST
Inp	1182.00		NIST
Tboil	512.54	K	Joback Calculated Property
Tc	718.86	K	Joback Calculated Property
Tfus	302.88	K	Joback Calculated Property
Vc	0.473	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[264.57; 325.43]	J/mol×K	[512.54; 718.86]
Cp,gas	264.57	J/mol×K	512.54	Joback Calculated Property
Cp,gas	276.18	J/mol×K	546.93	Joback Calculated Property
Cp,gas	287.19	J/mol×K	581.31	Joback Calculated Property
Cp,gas	297.62	J/mol×K	615.70	Joback Calculated Property
Cp,gas	307.46	J/mol×K	650.08	Joback Calculated Property
Cp,gas	316.72	J/mol×K	684.47	Joback Calculated Property
Cp,gas	325.43	J/mol×K	718.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Fluorobenzyl acetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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