Chemical Properties of 4-Hydroxy-3,5-dimethoxybenzaldehyde, PFBO # 1

InChI

InChI=1S/C16H12F5NO4/c1-24-9-3-7(4-10(25-2)16(9)23)5-22-26-6-8-11(17)13(19)15(21)14(20)12(8)18/h3-5,23H,6H2,1-2H3

InChI Key

VWHYOHDIHCDNMH-UHFFFAOYSA-N

Formula

C16H12F5NO4

SMILES

COc1cc(C=NOCc2c(F)c(F)c(F)c(F)c2F)cc(OC)c1O

Molecular Weight¹

377.26

• 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.
• 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	-1453.10	kJ/mol	Joback Calculated Property
ΔvapH°	79.87	kJ/mol	Joback Calculated Property
log10WS	-5.17		Crippen Calculated Property
logPoct/wat	3.656		Crippen Calculated Property
McVol	226.790	ml/mol	McGowan Calculated Property
Pc	1694.90	kPa	Joback Calculated Property
Inp	[2295.00; 2295.00]
Inp	2295.00		NIST
Inp	2295.00		NIST
Tboil	874.61	K	Joback Calculated Property
Tc	1086.19	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hydroxy-3,5-dimethoxybenzaldehyde, PFBO # 1.

Sources

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

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