Chemical Properties of Pentanal, PFBO # 1

InChI

InChI=1S/C12H12F5NO/c1-2-3-4-5-18-19-6-7-8(13)10(15)12(17)11(16)9(7)14/h5H,2-4,6H2,1H3

InChI Key

CQVUQQBKUBLHIZ-UHFFFAOYSA-N

Formula

C12H12F5NO

SMILES

CCCCC=NOCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

281.22

• 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	-1142.38	kJ/mol	Joback Calculated Property
ΔvapH°	49.53	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	4.075		Crippen Calculated Property
McVol	176.580	ml/mol	McGowan Calculated Property
Pc	1651.11	kPa	Joback Calculated Property
Inp	[1360.00; 1364.00]
Inp	1360.00		NIST
Inp	1364.00		NIST
Inp	1364.00		NIST
I	1664.00		NIST
Tboil	620.99	K	Joback Calculated Property
Tc	797.91	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentanal, PFBO # 1.

Sources

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

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