Chemical Properties of 2-Propenal, PFBO # 1

InChI

InChI=1S/C10H6F5NO/c1-2-3-16-17-4-5-6(11)8(13)10(15)9(14)7(5)12/h2-3H,1,4H2

InChI Key

ICDUEGOPUWNJNF-UHFFFAOYSA-N

Formula

C10H6F5NO

SMILES

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

Molecular Weight¹

251.15

• 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	-975.67	kJ/mol	Joback Calculated Property
ΔvapH°	44.41	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	3.071		Crippen Calculated Property
McVol	144.100	ml/mol	McGowan Calculated Property
Pc	2016.32	kPa	Joback Calculated Property
Inp	[1186.00; 1186.00]
Inp	1186.00		NIST
Inp	1186.00		NIST
I	1566.00		NIST
Tboil	571.91	K	Joback Calculated Property
Tc	754.69	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenal, PFBO # 1.

Sources

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

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