Chemical Properties of 2-Chloro-4-methoxyphenol, pentafluoropropionate

InChI

InChI=1S/C10H6ClF5O3/c1-18-5-2-3-7(6(11)4-5)19-8(17)9(12,13)10(14,15)16/h2-4H,1H3

InChI Key

CMYVKNJWVOOMIG-UHFFFAOYSA-N

Formula

C10H6ClF5O3

SMILES

COc1ccc(OC(=O)C(F)(F)C(F)(F)F)c(Cl)c1

Molecular Weight¹

304.60

• 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°	-1192.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1426.95	kJ/mol	Joback Calculated Property
ΔfusH°	23.66	kJ/mol	Joback Calculated Property
ΔvapH°	50.73	kJ/mol	Joback Calculated Property
log10WS	-3.99		Crippen Calculated Property
logPoct/wat	3.452		Crippen Calculated Property
McVol	162.400	ml/mol	McGowan Calculated Property
Pc	2329.27	kPa	Joback Calculated Property
Inp	[1273.00; 1273.00]
Inp	1273.00		NIST
Inp	1273.00		NIST
Tboil	590.87	K	Joback Calculated Property
Tc	783.28	K	Joback Calculated Property
Tfus	386.02	K	Joback Calculated Property
Vc	0.646	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.89; 449.03]	J/mol×K	[590.87; 783.28]
Cp,gas	396.89	J/mol×K	590.87	Joback Calculated Property
Cp,gas	407.28	J/mol×K	622.94	Joback Calculated Property
Cp,gas	416.96	J/mol×K	655.01	Joback Calculated Property
Cp,gas	425.94	J/mol×K	687.07	Joback Calculated Property
Cp,gas	434.26	J/mol×K	719.14	Joback Calculated Property
Cp,gas	441.95	J/mol×K	751.21	Joback Calculated Property
Cp,gas	449.03	J/mol×K	783.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-4-methoxyphenol, pentafluoropropionate.

Sources

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

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