Chemical Properties of Furan, 2-nonanoyl

InChI

InChI=1S/C13H20O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-11H,2-7,9H2,1H3

InChI Key

IVMLTMNCNAILQF-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

CCCCCCCCC(=O)c1ccco1

Molecular Weight¹

208.30

• ω : Acentric Factor.
• 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	0.6807		Relay (1.0) Calculated Property
ΔfH°gas	-361.69	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	74.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-4.64		Relay (1.0) Calculated Property
logPoct/wat	4.213		Crippen Calculated Property
McVol	182.010	ml/mol	McGowan Calculated Property
Pc	2037.58	kPa	Relay (1.0-beta) Calculated Property
Inp	[1588.00; 1588.00]
Inp	1588.00		NIST
Inp	1588.00		NIST
I	[2163.00; 2163.00]
I	2163.00		NIST
I	2163.00		NIST
Tboil	549.68	K	Relay (1.0) Calculated Property
Tc	744.66	K	Relay (1.0) Calculated Property
Tfus	297.20	K	Relay (1.0) Calculated Property
Vc	0.713	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to Furan, 2-nonanoyl.

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
• McGowan Method
• NIST Webbook

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