Chemical Properties of Furan, 2-methyl-5-(1,1,5-trimethyl-5-hexenyl)- (CAS 77143-15-8)

InChI

InChI=1S/C14H22O/c1-11(2)7-6-10-14(4,5)13-9-8-12(3)15-13/h8-9H,1,6-7,10H2,2-5H3

InChI Key

GHWXKPRRVHJBAE-UHFFFAOYSA-N

Formula

C14H22O

SMILES

C=C(C)CCCC(C)(C)c1ccc(C)o1

Molecular Weight¹

206.32

CAS

77143-15-8

Other Names

• Furane-2-methyl-5-(1,1,5-trimethyl-5-hexenyl)

• 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	0.5142		Relay (1.0) Calculated Property
ΔfG°	94.65	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-202.62	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	61.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-4.28		Relay (1.0) Calculated Property
logPoct/wat	4.612		Crippen Calculated Property
McVol	190.230	ml/mol	McGowan Calculated Property
Pc	1933.03	kPa	Relay (1.0-beta) Calculated Property
Inp	[1440.00; 1458.00]
Inp	1458.00		NIST
Inp	1440.00		NIST
I	1956.00		NIST
Tboil	519.73	K	Relay (1.0) Calculated Property
Tc	699.74	K	Relay (1.0) Calculated Property
Tfus	249.93	K	Relay (1.0) Calculated Property
Vc	0.698	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Furan, 2-methyl-5-(1,1,5-trimethyl-5-hexenyl)-.

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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