Chemical Properties of Furan, 3-methyl- (CAS 930-27-8)

InChI

InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3

InChI Key

KJRRQXYWFQKJIP-UHFFFAOYSA-N

Formula

C5H6O

SMILES

Cc1ccoc1

Molecular Weight¹

82.10

CAS

930-27-8

Other Names

• 3-Methylfuran
• 3-Methylfurane

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• P_vap : Vapor 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	0.2641		Relay (1.0) Calculated Property
PAff	854.00	kJ/mol	NIST
BasG	821.50	kJ/mol	NIST
ΔfG°	19.14	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-57.78	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	30.45	kJ/mol	Relay (1.0) Calculated Property
IE	[8.58; 8.70]	eV
IE	8.64	eV	NIST
IE	8.58	eV	NIST
IE	8.70	eV	NIST
log10WS	-0.54		Relay (1.0) Calculated Property
logPoct/wat	1.588		Crippen Calculated Property
McVol	67.720	ml/mol	McGowan Calculated Property
Pc	4933.77	kPa	Relay (1.0-beta) Calculated Property
Inp	[600.00; 646.00]
Inp	602.20		NIST
Inp	Outlier 646.00		NIST
Inp	611.10		NIST
Inp	602.96		NIST
Inp	603.00		NIST
Inp	620.00		NIST
Inp	614.00		NIST
Inp	602.00		NIST
Inp	602.00		NIST
Inp	600.00		NIST
I	[832.00; 901.00]
I	851.00		NIST
I	851.00		NIST
I	852.00		NIST
I	853.00		NIST
I	853.00		NIST
I	854.00		NIST
I	854.00		NIST
I	858.00		NIST
I	832.00		NIST
I	832.00		NIST
I	Outlier 901.00		NIST
I	877.00		NIST
I	877.00		NIST
I	851.00		NIST
I	854.00		NIST
Tboil	337.57	K	Relay (1.0) Calculated Property
Tc	544.32	K	Relay (1.0) Calculated Property
Tfus	203.36	K	Relay (1.0) Calculated Property
Vc	0.248	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[248.42; 353.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55175e+01
Coefficient B			-3.24588e+03
Coefficient C			-3.52950e+01
Temperature range, min.			248.42
Temperature range, max.			353.33
Pvap	1.33	kPa	248.42	Calculated Property
Pvap	2.94	kPa	260.08	Calculated Property
Pvap	5.99	kPa	271.73	Calculated Property
Pvap	11.41	kPa	283.39	Calculated Property
Pvap	20.52	kPa	295.05	Calculated Property
Pvap	35.10	kPa	306.70	Calculated Property
Pvap	57.43	kPa	318.36	Calculated Property
Pvap	90.39	kPa	330.02	Calculated Property
Pvap	137.44	kPa	341.67	Calculated Property
Pvap	202.65	kPa	353.33	Calculated Property

Similar Compounds

Find more compounds similar to Furan, 3-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
• The Yaws Handbook of Vapor Pressure

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.