Chemical Properties of 3-Methoxybenzoic heptafluorobutyric anhydride

InChI

InChI=1S/C12H7F7O4/c1-22-7-4-2-3-6(5-7)8(20)23-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3

InChI Key

ZUCOGGXFGAWLCO-UHFFFAOYSA-N

Formula

C12H7F7O4

SMILES

COc1cccc(C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1

Molecular Weight¹

348.17

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6842		Relay (1.0) Calculated Property
ΔfG°	-1670.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-2055.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.38	kJ/mol	Joback Calculated Property
ΔvapH°	74.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-4.91		Relay (1.0) Calculated Property
logPoct/wat	3.212		Crippen Calculated Property
McVol	183.450	ml/mol	McGowan Calculated Property
Pc	2029.06	kPa	Joback Calculated Property
Inp	[1310.00; 1310.00]
Inp	1310.00		NIST
Inp	1310.00		NIST
Tboil	524.15	K	Relay (1.0) Calculated Property
Tc	682.92	K	Relay (1.0) Calculated Property
Tfus	273.37	K	Relay (1.0) Calculated Property
Vc	0.673	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[502.86; 556.06]	J/mol×K	[643.40; 828.09]
Cp,gas	502.86	J/mol×K	643.40	Joback Calculated Property
Cp,gas	513.65	J/mol×K	674.18	Joback Calculated Property
Cp,gas	523.62	J/mol×K	704.96	Joback Calculated Property
Cp,gas	532.79	J/mol×K	735.75	Joback Calculated Property
Cp,gas	541.23	J/mol×K	766.53	Joback Calculated Property
Cp,gas	548.97	J/mol×K	797.31	Joback Calculated Property
Cp,gas	556.06	J/mol×K	828.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methoxybenzoic heptafluorobutyric anhydride.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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