Chemical Properties of (E)-2-Decenal, PFBO # 1

InChI

InChI=1S/C17H20F5NO/c1-2-3-4-5-6-7-8-9-10-23-24-11-12-13(18)15(20)17(22)16(21)14(12)19/h8-10H,2-7,11H2,1H3/b9-8+,23-10?

InChI Key

XEQKWTGAULTQDU-OZCBZVSKSA-N

Formula

C17H20F5NO

SMILES

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

Molecular Weight¹

349.34

• 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	-1128.36	kJ/mol	Joback Calculated Property
ΔvapH°	60.62	kJ/mol	Joback Calculated Property
log10WS	-7.29		Crippen Calculated Property
logPoct/wat	5.801		Crippen Calculated Property
McVol	242.730	ml/mol	McGowan Calculated Property
Pc	1198.13	kPa	Joback Calculated Property
Inp	[1906.00; 1906.00]
Inp	1906.00		NIST
Inp	1906.00		NIST
I	[2307.00; 2307.00]
I	2307.00		NIST
I	2307.00		NIST
Tboil	739.55	K	Joback Calculated Property
Tc	920.00	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-2-Decenal, PFBO # 1.

Sources

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

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