Chemical Properties of Benzofuran, 4,7-dimethyl- (CAS 28715-26-6)

InChI

InChI=1S/C10H10O/c1-7-3-4-8(2)10-9(7)5-6-11-10/h3-6H,1-2H3

InChI Key

PFXVPEGRXODMIQ-UHFFFAOYSA-N

Formula

C10H10O

SMILES

Cc1ccc(C)c2occc12

Molecular Weight¹

146.19

CAS

28715-26-6

Other Names

• 4,7-Dimethylbenzofuran

• 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.
• 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	0.4344		Relay (... Calculated Property
ΔfG°	92.45	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-48.10	kJ/mol	Relay (... Calculated Property
ΔvapH°	60.89	kJ/mol	Relay (... Calculated Property
IE	7.88	eV	Relay (... Calculated Property
log10WS	-3.42		Relay (... Calculated Property
logPoct/wat	3.050		Crippen Calculated Property
McVol	118.710	ml/mol	McGowan Calculated Property
Pc	3780.12	kPa	Relay (... Calculated Property ⚠️
Inp	[1218.00; 1240.00]
Inp	1220.40		NIST
Inp	Outlier 1240.00		NIST
Inp	1218.00		NIST
Inp	1220.00		NIST
Inp	1220.40		NIST
Inp	1218.00		NIST
Tboil	498.07	K	Relay (... Calculated Property
Tc	743.90	K	Relay (... Calculated Property
Tfus	309.96	K	Relay (... Calculated Property
Vc	0.461	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzofuran, 4,7-dimethyl-.

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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.