Chemical Properties of 3-Methylcatechol, bis(pentafluoropropionate)

InChI

InChI=1S/C13H6F10O4/c1-5-3-2-4-6(26-8(24)10(14,15)12(18,19)20)7(5)27-9(25)11(16,17)13(21,22)23/h2-4H,1H3

InChI Key

NQEXJEJPUBACAF-UHFFFAOYSA-N

Formula

C13H6F10O4

SMILES

Cc1cccc(OC(=O)C(F)(F)C(F)(F)F)c1OC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

416.17

• 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°	-2252.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-2583.76	kJ/mol	Joback Calculated Property
ΔfusH°	29.41	kJ/mol	Joback Calculated Property
ΔvapH°	53.09	kJ/mol	Joback Calculated Property
log10WS	-5.36		Crippen Calculated Property
logPoct/wat	4.201		Crippen Calculated Property
McVol	202.850	ml/mol	McGowan Calculated Property
Pc	1670.06	kPa	Joback Calculated Property
Inp	[1119.00; 1119.00]
Inp	1119.00		NIST
Inp	1119.00		NIST
Tboil	665.84	K	Joback Calculated Property
Tc	839.39	K	Joback Calculated Property
Tfus	447.63	K	Joback Calculated Property
Vc	0.840	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[578.94; 628.77]	J/mol×K	[665.84; 839.39]
Cp,gas	578.94	J/mol×K	665.84	Joback Calculated Property
Cp,gas	589.07	J/mol×K	694.76	Joback Calculated Property
Cp,gas	598.40	J/mol×K	723.69	Joback Calculated Property
Cp,gas	606.99	J/mol×K	752.61	Joback Calculated Property
Cp,gas	614.88	J/mol×K	781.54	Joback Calculated Property
Cp,gas	622.12	J/mol×K	810.46	Joback Calculated Property
Cp,gas	628.77	J/mol×K	839.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylcatechol, bis(pentafluoropropionate).

Sources

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

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