Chemical Properties of 3-Methoxy-2,4,5-trifluorobenzoic acid, heptyl ester

InChI

InChI=1S/C15H19F3O3/c1-3-4-5-6-7-8-21-15(19)10-9-11(16)13(18)14(20-2)12(10)17/h9H,3-8H2,1-2H3

InChI Key

ZPOZCTMUMLAWOD-UHFFFAOYSA-N

Formula

C15H19F3O3

SMILES

CCCCCCCOC(=O)c1cc(F)c(F)c(OC)c1F

Molecular Weight¹

304.30

• 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°	-774.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1127.63	kJ/mol	Joback Calculated Property
ΔfusH°	40.31	kJ/mol	Joback Calculated Property
ΔvapH°	63.02	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	4.240		Crippen Calculated Property
McVol	217.070	ml/mol	McGowan Calculated Property
Pc	1609.00	kPa	Joback Calculated Property
Inp	[1847.00; 1847.00]
Inp	1847.00		NIST
Inp	1847.00		NIST
Tboil	685.72	K	Joback Calculated Property
Tc	865.40	K	Joback Calculated Property
Tfus	431.47	K	Joback Calculated Property
Vc	0.864	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[596.23; 670.45]	J/mol×K	[685.72; 865.40]
Cp,gas	596.23	J/mol×K	685.72	Joback Calculated Property
Cp,gas	610.32	J/mol×K	715.67	Joback Calculated Property
Cp,gas	623.73	J/mol×K	745.61	Joback Calculated Property
Cp,gas	636.44	J/mol×K	775.56	Joback Calculated Property
Cp,gas	648.47	J/mol×K	805.50	Joback Calculated Property
Cp,gas	659.81	J/mol×K	835.45	Joback Calculated Property
Cp,gas	670.45	J/mol×K	865.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, heptyl ester.

Sources

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

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.