Chemical Properties of 2-(2',3'-epoxy-3'-methylbutyl)-3-methylfuran

InChI

InChI=1S/C10H14O2/c1-7-4-5-11-8(7)6-9-10(2,3)12-9/h4-5,9H,6H2,1-3H3

InChI Key

BVTAIXWVSMPSFL-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

Cc1ccoc1CC1OC1(C)C

Molecular Weight¹

166.22

Other Names

• Rosefuran epoxide
• Rosefurane epoxide

• 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	0.4129		Relay (... Calculated Property
ΔfG°	-63.05	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-252.97	kJ/mol	Relay (... Calculated Property
ΔvapH°	56.88	kJ/mol	Relay (... Calculated Property
IE	8.49	eV	Relay (... Calculated Property
log10WS	-1.29		Relay (... Calculated Property
logPoct/wat	2.308		Crippen Calculated Property
McVol	133.180	ml/mol	McGowan Calculated Property
Pc	2657.47	kPa	Relay (... Calculated Property ⚠️
Inp	[1160.00; 1197.00]
Inp	1172.00		NIST
Inp	1167.00		NIST
Inp	1161.00		NIST
Inp	Outlier 1197.00		NIST
Inp	1160.00		NIST
Inp	1172.00		NIST
I	[1561.00; 1614.00]
I	1561.00		NIST
I	1614.00		NIST
Tboil	474.61	K	Relay (... Calculated Property
Tc	682.21	K	Relay (... Calculated Property
Tfus	247.22	K	Relay (... Calculated Property
Vc	0.524	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-(2',3'-epoxy-3'-methylbutyl)-3-methylfuran.

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.