Chemical Properties of 4-Methoxybenzaldehyde, PFBO # 1

InChI

InChI=1S/C15H10F5NO2/c1-22-9-4-2-8(3-5-9)6-21-23-7-10-11(16)13(18)15(20)14(19)12(10)17/h2-6H,7H2,1H3

InChI Key

HDKKZKNAURGNMX-UHFFFAOYSA-N

Formula

C15H10F5NO2

SMILES

COc1ccc(C=NOCc2c(F)c(F)c(F)c(F)c2F)cc1

Molecular Weight¹

331.24

• Δ_fH°_gas : Enthalpy of formation 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1111.46	kJ/mol	Joback Calculated Property
ΔvapH°	61.56	kJ/mol	Joback Calculated Property
log10WS	-5.51		Crippen Calculated Property
logPoct/wat	3.941		Crippen Calculated Property
McVol	200.960	ml/mol	McGowan Calculated Property
Pc	1665.97	kPa	Joback Calculated Property
Inp	[1943.00; 1943.00]
Inp	1943.00		NIST
Inp	1943.00		NIST
I	[2718.00; 2718.00]
I	2718.00		NIST
I	2718.00		NIST
Tboil	743.71	K	Joback Calculated Property
Tc	945.89	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Methoxybenzaldehyde, PFBO # 1.

Sources

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

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