Chemical Properties of Ethanal, PFBO # 1

InChI

InChI=1S/C9H6F5NO/c1-2-15-16-3-4-5(10)7(12)9(14)8(13)6(4)11/h2H,3H2,1H3

InChI Key

AKDRYEADQPNLOH-UHFFFAOYSA-N

Formula

C9H6F5NO

SMILES

CC=NOCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

239.14

• 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	-1080.46	kJ/mol	Joback Calculated Property
ΔvapH°	42.85	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	2.904		Crippen Calculated Property
McVol	134.310	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[1104.00; 1104.00]
Inp	1104.00		NIST
Inp	1104.00		NIST
I	1451.00		NIST
Tboil	552.35	K	Joback Calculated Property
Tc	733.73	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanal, PFBO # 1.

Sources

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

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