Chemical Properties of Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-isopropenyl-, trans- (CAS 17910-09-7)

InChI

InChI=1S/C15H20O/c1-6-15(5)8-14-12(11(4)9-16-14)7-13(15)10(2)3/h6,9,13H,1-2,7-8H2,3-5H3/t13-,15+/m0/s1

InChI Key

HICAMHOOTMOHPA-DZGCQCFKSA-N

Formula

C15H20O

SMILES

C=CC1(C)Cc2occ(C)c2CC1C(=C)C

Molecular Weight¹

216.32

CAS

17910-09-7

Other Names

• 5-Isopropenyl-3,6-dimethyl-6-vinyl-4,5,6,7-tetrahydro-1-benzofuran, trans-
• Curzerene
• Isogermafurene
• isofuranogermacrene

• 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	0.3919		Relay (1.0) Calculated Property
ΔfG°	195.35	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	21.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.26	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-4.43		Relay (1.0) Calculated Property
logPoct/wat	4.071		Crippen Calculated Property
McVol	189.160	ml/mol	McGowan Calculated Property
Pc	2124.98	kPa	Relay (1.0-beta) Calculated Property
Inp	[1470.00; 1510.50]
Inp	1499.00		NIST
Inp	1480.00		NIST
Inp	1510.50		NIST
Inp	1480.00		NIST
Inp	1495.00		NIST
Inp	1510.50		NIST
Inp	1498.00		NIST
Inp	1494.00		NIST
Inp	1498.00		NIST
Inp	Outlier 1470.00		NIST
Inp	1496.00		NIST
Inp	1499.00		NIST
Inp	1499.00		NIST
Inp	1506.00		NIST
Inp	1478.00		NIST
Inp	1498.00		NIST
Inp	1495.00		NIST
I	[1874.00; 1898.00]
I	1888.00		NIST
I	1874.00		NIST
I	1898.00		NIST
I	1885.00		NIST
I	1874.00		NIST
I	1888.00		NIST
Tboil	556.21	K	Relay (1.0) Calculated Property
Tc	766.89	K	Relay (1.0) Calculated Property
Tfus	260.95	K	Relay (1.0) Calculated Property
Vc	0.661	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-isopropenyl-, trans-.

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.