Chemical Properties of Benzaldehyde, PFBO # 1

InChI

InChI=1S/C14H8F5NO/c15-10-9(11(16)13(18)14(19)12(10)17)7-21-20-6-8-4-2-1-3-5-8/h1-6H,7H2

InChI Key

UKSAZCDAGVHMRF-UHFFFAOYSA-N

Formula

C14H8F5NO

SMILES

Fc1c(F)c(F)c(CON=Cc2ccccc2)c(F)c1F

Molecular Weight¹

301.21

• 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	-947.13	kJ/mol	Joback Calculated Property
ΔvapH°	56.26	kJ/mol	Joback Calculated Property
log10WS	-5.39		Crippen Calculated Property
logPoct/wat	3.933		Crippen Calculated Property
McVol	181.000	ml/mol	McGowan Calculated Property
Pc	1854.71	kPa	Joback Calculated Property
Inp	[2282.00; 2282.00]
Inp	2282.00		NIST
Inp	2282.00		NIST
I	[1667.00; 1667.00]
I	1667.00		NIST
I	1667.00		NIST
Tboil	693.43	K	Joback Calculated Property
Tc	898.29	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, PFBO # 1.

Sources

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

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