Chemical Properties of Isovalencenol

InChI

InChI=1S/C15H24O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h6,9,11-12,16H,4-5,7-8,10H2,1-3H3/t11?,12-,15+/m0/s1

InChI Key

MCDRFHDZJOGPFL-WQKBPTQTSA-N

Formula

C15H24O

SMILES

CC(CO)C1=CC2(C)C(=CCCC2C)CC1

Molecular Weight¹

220.35

• 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.
• 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	0.5380		Relay (1.0) Calculated Property
ΔfG°	44.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-196.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.41	kJ/mol	Joback Calculated Property
ΔvapH°	90.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-3.75		Relay (1.0) Calculated Property
logPoct/wat	3.698		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	[1775.00; 1813.00]
Inp	1775.00		NIST
Inp	1813.00		NIST
I	2555.00		NIST
Tboil	565.64	K	Relay (1.0) Calculated Property
Tc	795.05	K	Relay (1.0) Calculated Property
Tfus	329.03	K	Relay (1.0) Calculated Property
Vc	0.663	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[570.73; 667.80]	J/mol×K	[673.42; 881.23]
Cp,gas	570.73	J/mol×K	673.42	Joback Calculated Property
Cp,gas	588.67	J/mol×K	708.05	Joback Calculated Property
Cp,gas	605.74	J/mol×K	742.69	Joback Calculated Property
Cp,gas	622.06	J/mol×K	777.32	Joback Calculated Property
Cp,gas	637.76	J/mol×K	811.96	Joback Calculated Property
Cp,gas	652.96	J/mol×K	846.59	Joback Calculated Property
Cp,gas	667.80	J/mol×K	881.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isovalencenol.

Sources

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

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