Chemical Properties of «alpha»-Ambrinol

InChI

InChI=1S/C13H22O/c1-12(2)7-4-5-10-9-13(3,14)8-6-11(10)12/h5,11,14H,4,6-9H2,1-3H3/t11-,13+/m0/s1

InChI Key

GPVOTKFXWGURGP-WCQYABFASA-N

Formula

C13H22O

SMILES

CC1(O)CCC2C(=CCCC2(C)C)C1

Molecular Weight¹

194.31

Other Names

• «alpha»-Ambrinol (Isomer 2)
• «alpha»-Ambrinol (Isomer 1)

• 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).
• 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
ΔfG°	-3.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-286.47	kJ/mol	Joback Calculated Property
ΔfusH°	10.69	kJ/mol	Joback Calculated Property
ΔvapH°	60.07	kJ/mol	Joback Calculated Property
log10WS	-3.80		Crippen Calculated Property
logPoct/wat	3.284		Crippen Calculated Property
McVol	173.880	ml/mol	McGowan Calculated Property
Pc	2668.02	kPa	Joback Calculated Property
Inp	[1403.00; 1441.00]
Inp	1441.00		NIST
Inp	1403.00		NIST
I	[1870.00; 1872.00]
I	1872.00		NIST
I	1870.00		NIST
Tboil	619.53	K	Joback Calculated Property
Tc	834.63	K	Joback Calculated Property
Tfus	375.73	K	Joback Calculated Property
Vc	0.645	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[485.50; 584.92]	J/mol×K	[619.53; 834.63]
Cp,gas	485.50	J/mol×K	619.53	Joback Calculated Property
Cp,gas	503.70	J/mol×K	655.38	Joback Calculated Property
Cp,gas	520.97	J/mol×K	691.23	Joback Calculated Property
Cp,gas	537.51	J/mol×K	727.08	Joback Calculated Property
Cp,gas	553.54	J/mol×K	762.93	Joback Calculated Property
Cp,gas	569.27	J/mol×K	798.78	Joback Calculated Property
Cp,gas	584.92	J/mol×K	834.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Ambrinol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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