Chemical Properties of Cubebol I

InChI

InChI=1S/C14H24O/c1-8(2)10-5-4-9(3)14-7-6-11(15)13(14)12(10)14/h8-13,15H,4-7H2,1-3H3/t9-,10+,11?,12?,13?,14?/m1/s1

InChI Key

XOZMJZPPIYMDMP-CQYVWIKOSA-N

Formula

C14H24O

SMILES

CC(C)C1CCC(C)C23CCC(O)C2C13

Molecular Weight¹

208.34

• 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	0.4915		Relay (1.0) Calculated Property
ΔfG°	69.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-212.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.80	kJ/mol	Joback Calculated Property
ΔvapH°	87.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-4.03		Relay (1.0) Calculated Property
logPoct/wat	3.076		Crippen Calculated Property
McVol	181.410	ml/mol	McGowan Calculated Property
Pc	2265.42	kPa	Joback Calculated Property
Inp	[1508.00; 1508.00]
Inp	1508.00		NIST
Inp	1508.00		NIST
Tboil	540.70	K	Relay (1.0) Calculated Property
Tc	796.06	K	Relay (1.0) Calculated Property
Tfus	372.96	K	Relay (1.0) Calculated Property
Vc	0.626	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.72; 648.80]	J/mol×K	[622.18; 821.87]
Cp,gas	545.72	J/mol×K	622.18	Joback Calculated Property
Cp,gas	565.09	J/mol×K	655.46	Joback Calculated Property
Cp,gas	583.39	J/mol×K	688.74	Joback Calculated Property
Cp,gas	600.77	J/mol×K	722.03	Joback Calculated Property
Cp,gas	617.37	J/mol×K	755.31	Joback Calculated Property
Cp,gas	633.33	J/mol×K	788.59	Joback Calculated Property
Cp,gas	648.80	J/mol×K	821.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cubebol I.

Sources

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

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