Chemical Properties of 3-Fluorobenzoic acid, 3-methylbut-2-enyl ester (CAS 154559-38-3)

InChI

InChI=1S/C12H13FO2/c1-9(2)6-7-15-12(14)10-4-3-5-11(13)8-10/h3-6,8H,7H2,1-2H3

InChI Key

FFMWJRQUVVMAAC-UHFFFAOYSA-N

Formula

C12H13FO2

SMILES

CC(C)=CCOC(=O)c1cccc(F)c1

Molecular Weight¹

208.23

CAS

154559-38-3

• 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°	-204.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-399.43	kJ/mol	Joback Calculated Property
ΔfusH°	25.25	kJ/mol	Joback Calculated Property
ΔvapH°	53.62	kJ/mol	Joback Calculated Property
log10WS	-3.57		Crippen Calculated Property
logPoct/wat	2.949		Crippen Calculated Property
McVol	161.090	ml/mol	McGowan Calculated Property
Pc	2510.03	kPa	Joback Calculated Property
Inp	[1475.30; 1475.30]
Inp	1475.30		NIST
Inp	1475.30		NIST
Tboil	585.22	K	Joback Calculated Property
Tc	794.67	K	Joback Calculated Property
Tfus	317.65	K	Joback Calculated Property
Vc	0.623	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[381.89; 453.56]	J/mol×K	[585.22; 794.67]
Cp,gas	381.89	J/mol×K	585.22	Joback Calculated Property
Cp,gas	395.78	J/mol×K	620.13	Joback Calculated Property
Cp,gas	408.85	J/mol×K	655.04	Joback Calculated Property
Cp,gas	421.14	J/mol×K	689.94	Joback Calculated Property
Cp,gas	432.66	J/mol×K	724.85	Joback Calculated Property
Cp,gas	443.46	J/mol×K	759.76	Joback Calculated Property
Cp,gas	453.56	J/mol×K	794.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluorobenzoic acid, 3-methylbut-2-enyl ester.

Sources

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

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