Chemical Properties of 7«alpha»H-Eremophila-1(10),11-dien-2-«alpha»-yl methyl ether

InChI

InChI=1S/C16H26O/c1-11(2)13-6-7-14-9-15(17-5)8-12(3)16(14,4)10-13/h9,12-13,15H,1,6-8,10H2,2-5H3/t12-,13+,15-,16+/m1/s1

InChI Key

BAMKIAGPJFEFEX-CLWVCHIJSA-N

Formula

C16H26O

SMILES

C=C(C)C1CCC2=CC(OC)CC(C)C2(C)C1

Molecular Weight¹

234.38

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.3565		Relay (... Calculated Property
ΔfG°	130.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-198.69	kJ/mol	Relay (... Calculated Property
ΔfusH°	20.34	kJ/mol	Joback Calculated Property
ΔvapH°	71.01	kJ/mol	Relay (... Calculated Property
IE	8.23	eV	Relay (... Calculated Property
log10WS	-4.56		Relay (... Calculated Property
logPoct/wat	4.350		Crippen Calculated Property
McVol	211.850	ml/mol	McGowan Calculated Property
Pc	1789.39	kPa	Joback Calculated Property
Inp	[1686.00; 1686.00]
Inp	1686.00		NIST
Inp	1686.00		NIST
Tboil	563.37	K	Relay (... Calculated Property
Tc	758.31	K	Relay (... Calculated Property
Tfus	326.37	K	Relay (... Calculated Property
Vc	0.714	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[584.39; 708.25]	J/mol×K	[610.06; 828.08]
Cp,gas	584.39	J/mol×K	610.06	Joback Calculated Property
Cp,gas	607.89	J/mol×K	646.40	Joback Calculated Property
Cp,gas	630.08	J/mol×K	682.73	Joback Calculated Property
Cp,gas	651.09	J/mol×K	719.07	Joback Calculated Property
Cp,gas	671.03	J/mol×K	755.41	Joback Calculated Property
Cp,gas	690.04	J/mol×K	791.74	Joback Calculated Property
Cp,gas	708.25	J/mol×K	828.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7«alpha»H-Eremophila-1(10),11-dien-2-«alpha»-yl methyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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