Chemical Properties of Methyl 2-hydroxy-4-methoxybenzoate, O-pentafluoropropionyl-

InChI

InChI=1S/C12H9F5O5/c1-20-6-3-4-7(9(18)21-2)8(5-6)22-10(19)11(13,14)12(15,16)17/h3-5H,1-2H3

InChI Key

ZATMWZCIBDRJDZ-UHFFFAOYSA-N

Formula

C12H9F5O5

SMILES

COC(=O)c1ccc(OC)cc1OC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

328.19

• 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°	-1397.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1697.29	kJ/mol	Joback Calculated Property
ΔfusH°	27.43	kJ/mol	Joback Calculated Property
ΔvapH°	59.95	kJ/mol	Joback Calculated Property
log10WS	-3.54		Crippen Calculated Property
logPoct/wat	2.585		Crippen Calculated Property
McVol	185.780	ml/mol	McGowan Calculated Property
Pc	2102.27	kPa	Joback Calculated Property
Inp	[1492.00; 1492.00]
Inp	1492.00		NIST
Inp	1492.00		NIST
Tboil	675.49	K	Joback Calculated Property
Tc	865.86	K	Joback Calculated Property
Tfus	450.80	K	Joback Calculated Property
Vc	0.734	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[506.81; 561.63]	J/mol×K	[675.49; 865.86]
Cp,gas	506.81	J/mol×K	675.49	Joback Calculated Property
Cp,gas	517.78	J/mol×K	707.22	Joback Calculated Property
Cp,gas	527.99	J/mol×K	738.95	Joback Calculated Property
Cp,gas	537.46	J/mol×K	770.68	Joback Calculated Property
Cp,gas	546.22	J/mol×K	802.41	Joback Calculated Property
Cp,gas	554.26	J/mol×K	834.14	Joback Calculated Property
Cp,gas	561.63	J/mol×K	865.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 2-hydroxy-4-methoxybenzoate, O-pentafluoropropionyl-.

Sources

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

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