Chemical Properties of Furan, 2,2'-methylenebis[5-methyl- (CAS 13679-43-1)

InChI

InChI=1S/C11H12O2/c1-8-3-5-10(12-8)7-11-6-4-9(2)13-11/h3-6H,7H2,1-2H3

InChI Key

FVKCJDISKKFSJI-UHFFFAOYSA-N

Formula

C11H12O2

SMILES

Cc1ccc(Cc2ccc(C)o2)o1

Molecular Weight¹

176.21

CAS

13679-43-1

Other Names

• Furan, 2,2'-methylenebis*5-methyl-

• 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 : 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	0.5083		Relay (1.0) Calculated Property
ΔfG°	-14.25	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-224.95	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-2.42		Relay (1.0) Calculated Property
logPoct/wat	3.080		Crippen Calculated Property
McVol	138.670	ml/mol	McGowan Calculated Property
Pc	2947.82	kPa	Relay (1.0-beta) Calculated Property
I	[1729.00; 1732.00]
I	1729.00		NIST
I	1731.00		NIST
I	1731.00		NIST
I	1732.00		NIST
I	1732.00		NIST
I	1729.00		NIST
Tboil	520.49	K	Relay (1.0) Calculated Property
Tc	728.69	K	Relay (1.0) Calculated Property
Tfus	279.65	K	Relay (1.0) Calculated Property
Vc	0.569	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Furan, 2,2'-methylenebis[5-methyl-.

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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