Chemical Properties of «alpha»-Isonootkatol (CAS 1380573-94-3)

InChI

InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11,14,16H,5-7,9H2,1-4H3

InChI Key

OKGZNXMPKYHFRT-UHFFFAOYSA-N

Formula

C15H24O

SMILES

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

Molecular Weight¹

220.35

CAS

1380573-94-3

• 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	0.4599		Relay (1.0) Calculated Property
ΔfG°	55.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-217.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.18	kJ/mol	Joback Calculated Property
ΔvapH°	89.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-3.32		Relay (1.0) Calculated Property
logPoct/wat	3.840		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2185.64	kPa	Joback Calculated Property
Inp	[2405.40; 2405.40]
Inp	2405.40		NIST
Inp	2405.40		NIST
Tboil	568.65	K	Relay (1.0) Calculated Property
Tc	783.98	K	Relay (1.0) Calculated Property
Tfus	390.01	K	Relay (1.0) Calculated Property
Vc	0.671	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.72; 673.14]	J/mol×K	[671.57; 881.76]
Cp,gas	572.72	J/mol×K	671.57	Joback Calculated Property
Cp,gas	591.29	J/mol×K	706.60	Joback Calculated Property
Cp,gas	608.94	J/mol×K	741.63	Joback Calculated Property
Cp,gas	625.83	J/mol×K	776.66	Joback Calculated Property
Cp,gas	642.07	J/mol×K	811.69	Joback Calculated Property
Cp,gas	657.79	J/mol×K	846.72	Joback Calculated Property
Cp,gas	673.14	J/mol×K	881.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Isonootkatol.

Sources

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

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