Chemical Properties of Isolongifolol (CAS 1139-17-9)

InChI

InChI=1S/C15H26O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h10-13,16H,4-9H2,1-3H3

InChI Key

VZJHQHUOVIDRCF-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1(C)CCCC2(C)C(CO)C3CCC2C31

Molecular Weight¹

222.37

CAS

1139-17-9

Other Names

• 1,4-Methanoazulene-9-methanol, decahydro-4,8,8-trimethyl-, [1S-(1«alpha»,3a«beta»,4«alpha»,8a«beta»,9R*)]-
• (-)-Isolongifolol
• (4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl)methanol
• Longi-«beta»-camphenyl alcohol
• 3-Isolongifolol
• iso-Langifolol
• [1S-(1«alpha»,3a«beta»,4«alpha»,8a«beta»,9R*)]-decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-methanol

• 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.
• 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°	62.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-329.62	kJ/mol	Joback Calculated Property
ΔfusH°	19.52	kJ/mol	Joback Calculated Property
ΔvapH°	62.52	kJ/mol	Joback Calculated Property
log10WS	-3.60		Crippen Calculated Property
logPoct/wat	3.467		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	2193.84	kPa	Joback Calculated Property
Inp	[1695.00; 1781.20]
Inp	1781.20		NIST
Inp	1695.00		NIST
Inp	1712.00		NIST
Tboil	650.01	K	Joback Calculated Property
Tc	856.17	K	Joback Calculated Property
Tfus	401.49	K	Joback Calculated Property
Vc	0.743	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.04; 710.12]	J/mol×K	[650.01; 856.17]
Cp,gas	599.04	J/mol×K	650.01	Joback Calculated Property
Cp,gas	619.09	J/mol×K	684.37	Joback Calculated Property
Cp,gas	638.22	J/mol×K	718.73	Joback Calculated Property
Cp,gas	656.66	J/mol×K	753.09	Joback Calculated Property
Cp,gas	674.65	J/mol×K	787.45	Joback Calculated Property
Cp,gas	692.39	J/mol×K	821.81	Joback Calculated Property
Cp,gas	710.12	J/mol×K	856.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isolongifolol.

Sources

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

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