Chemical Properties of 1,11-Calamenene oxide

InChI

InChI=1S/C14H18O/c1-13(2)11-8-9-14(3,15-13)12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3/t11-,14-/m1/s1

InChI Key

UPULKYWOGKVXOB-BXUZGUMPSA-N

Formula

C14H18O

SMILES

CC12CCC(c3ccccc31)C(C)(C)O2

Molecular Weight¹

202.29

• 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	0.3976		Relay (1.0) Calculated Property
ΔfG°	186.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-138.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.39	kJ/mol	Joback Calculated Property
ΔvapH°	69.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-2.81		Relay (1.0) Calculated Property
logPoct/wat	3.588		Crippen Calculated Property
McVol	168.510	ml/mol	McGowan Calculated Property
Pc	2662.52	kPa	Joback Calculated Property
Inp	[1481.00; 1481.00]
Inp	1481.00		NIST
Inp	1481.00		NIST
Tboil	533.11	K	Relay (1.0) Calculated Property
Tc	800.44	K	Relay (1.0) Calculated Property
Tfus	312.05	K	Relay (1.0) Calculated Property
Vc	0.638	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[445.95; 545.09]	J/mol×K	[587.62; 828.85]
Cp,gas	445.95	J/mol×K	587.62	Joback Calculated Property
Cp,gas	464.65	J/mol×K	627.82	Joback Calculated Property
Cp,gas	482.01	J/mol×K	668.03	Joback Calculated Property
Cp,gas	498.38	J/mol×K	708.23	Joback Calculated Property
Cp,gas	514.11	J/mol×K	748.44	Joback Calculated Property
Cp,gas	529.56	J/mol×K	788.64	Joback Calculated Property
Cp,gas	545.09	J/mol×K	828.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,11-Calamenene oxide.

Sources

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

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