Chemical Properties of Undecanal, PFBO # 1

InChI

InChI=1S/C18H24F5NO/c1-2-3-4-5-6-7-8-9-10-11-24-25-12-13-14(19)16(21)18(23)17(22)15(13)20/h11H,2-10,12H2,1H3

InChI Key

XJDXRHQPJGTNHN-UHFFFAOYSA-N

Formula

C18H24F5NO

SMILES

CCCCCCCCCCC=NOCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

365.38

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9302		Relay (1.0) Calculated Property
ΔfG°	-563.20	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-889.62	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-7.86		Relay (1.0) Calculated Property
logPoct/wat	6.415		Crippen Calculated Property
McVol	261.120	ml/mol	McGowan Calculated Property
Pc	1084.20	kPa	Joback Calculated Property
Inp	[1949.00; 1949.00]
Inp	1949.00		NIST
Inp	1949.00		NIST
I	[2239.00; 2239.00]
I	2239.00		NIST
I	2239.00		NIST
Tboil	570.20	K	Relay (1.0) Calculated Property
Tc	757.68	K	Relay (1.0) Calculated Property
Tfus	324.44	K	Relay (1.0) Calculated Property
Vc	0.987	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Undecanal, PFBO # 1.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.