Chemical Properties of 2,6-Dimethoxyphenol,heptafluorobutyrate

InChI

InChI=1S/C12H9F7O4/c1-21-6-4-3-5-7(22-2)8(6)23-9(20)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3

InChI Key

HOUIQBCSIBUBBK-UHFFFAOYSA-N

Formula

C12H9F7O4

SMILES

COc1cccc(OC)c1OC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

350.19

• 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°	-1655.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1985.68	kJ/mol	Joback Calculated Property
ΔfusH°	24.58	kJ/mol	Joback Calculated Property
ΔvapH°	50.28	kJ/mol	Joback Calculated Property
log10WS	-4.15		Crippen Calculated Property
logPoct/wat	3.442		Crippen Calculated Property
McVol	187.750	ml/mol	McGowan Calculated Property
Pc	1865.94	kPa	Joback Calculated Property
Inp	[1345.00; 1345.00]
Inp	1345.00		NIST
Inp	1345.00		NIST
Tboil	616.93	K	Joback Calculated Property
Tc	794.43	K	Joback Calculated Property
Tfus	404.47	K	Joback Calculated Property
Vc	0.752	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[510.95; 570.63]	J/mol×K	[616.93; 794.43]
Cp,gas	510.95	J/mol×K	616.93	Joback Calculated Property
Cp,gas	522.72	J/mol×K	646.51	Joback Calculated Property
Cp,gas	533.72	J/mol×K	676.10	Joback Calculated Property
Cp,gas	543.98	J/mol×K	705.68	Joback Calculated Property
Cp,gas	553.54	J/mol×K	735.27	Joback Calculated Property
Cp,gas	562.41	J/mol×K	764.85	Joback Calculated Property
Cp,gas	570.63	J/mol×K	794.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Dimethoxyphenol,heptafluorobutyrate.

Sources

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

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