Chemical Properties of 2-Hydroxy-3-methoxybenzaldehyde, pentafluoropropionate

InChI

InChI=1S/C11H7F5O4/c1-19-7-4-2-3-6(5-17)8(7)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3

InChI Key

IZUZZDPRXVQHTP-UHFFFAOYSA-N

Formula

C11H7F5O4

SMILES

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

Molecular Weight¹

298.16

• 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	0.6297		Relay (... Calculated Property
ΔfG°	-1271.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1560.77	kJ/mol	Relay (... Calculated Property
ΔfusH°	24.35	kJ/mol	Joback Calculated Property
ΔvapH°	71.62	kJ/mol	Relay (... Calculated Property
IE	9.30	eV	Relay (... Calculated Property
log10WS	-3.51		Relay (... Calculated Property
logPoct/wat	2.611		Crippen Calculated Property
McVol	165.820	ml/mol	McGowan Calculated Property
Pc	2363.37	kPa	Joback Calculated Property
Inp	[1346.00; 1346.00]
Inp	1346.00		NIST
Inp	1346.00		NIST
Tboil	506.80	K	Relay (... Calculated Property
Tc	697.34	K	Relay (... Calculated Property
Tfus	298.57	K	Relay (... Calculated Property
Vc	0.596	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.35; 486.56]	J/mol×K	[624.98; 814.52]
Cp,gas	434.35	J/mol×K	624.98	Joback Calculated Property
Cp,gas	444.76	J/mol×K	656.57	Joback Calculated Property
Cp,gas	454.45	J/mol×K	688.16	Joback Calculated Property
Cp,gas	463.45	J/mol×K	719.75	Joback Calculated Property
Cp,gas	471.78	J/mol×K	751.34	Joback Calculated Property
Cp,gas	479.47	J/mol×K	782.93	Joback Calculated Property
Cp,gas	486.56	J/mol×K	814.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-3-methoxybenzaldehyde, pentafluoropropionate.

Sources

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

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