Chemical Properties of 10,11-Epoxy calamenene

InChI

InChI=1S/C15H20O/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3/t12?,15-/m0/s1

InChI Key

RWNMGACJGXHHHN-CVRLYYSRSA-N

Formula

C15H20O

SMILES

Cc1ccc2c(c1)C1CCC2(C)OC1(C)C

Molecular Weight¹

216.32

• 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	0.4441		Relay (1.0) Calculated Property
ΔfG°	185.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-176.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.59	kJ/mol	Joback Calculated Property
ΔvapH°	71.50	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-3.22		Relay (1.0) Calculated Property
logPoct/wat	3.896		Crippen Calculated Property
McVol	182.600	ml/mol	McGowan Calculated Property
Pc	2381.86	kPa	Joback Calculated Property
Inp	[1476.00; 1485.00]
Inp	1485.00		NIST
Inp	1476.00		NIST
Inp	1476.00		NIST
Tboil	552.11	K	Relay (1.0) Calculated Property
Tc	805.99	K	Relay (1.0) Calculated Property
Tfus	329.66	K	Relay (1.0) Calculated Property
Vc	0.693	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[496.08; 599.28]	J/mol×K	[615.48; 852.68]
Cp,gas	496.08	J/mol×K	615.48	Joback Calculated Property
Cp,gas	514.95	J/mol×K	655.01	Joback Calculated Property
Cp,gas	532.70	J/mol×K	694.55	Joback Calculated Property
Cp,gas	549.68	J/mol×K	734.08	Joback Calculated Property
Cp,gas	566.21	J/mol×K	773.61	Joback Calculated Property
Cp,gas	582.64	J/mol×K	813.15	Joback Calculated Property
Cp,gas	599.28	J/mol×K	852.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 10,11-Epoxy calamenene.

Sources

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

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