Chemical Properties of Isolongifolanone (CAS 14727-47-0)

InChI

InChI=1S/C15H24O/c1-9-12-11(16)8-10-13(12)14(2,3)6-5-7-15(9,10)4/h9-10,12-13H,5-8H2,1-4H3/t9-,10+,12-,13+,15-/m0/s1

InChI Key

XROGGPRBZBLTOH-COPWDGIASA-N

Formula

C15H24O

SMILES

CC1C2C(=O)CC3C2C(C)(C)CCCC13C

Molecular Weight¹

220.35

CAS

14727-47-0

Other Names

• 1,4-Methanoazulen-2(1H)-one, octahydro-4,8,8,9-tetramethyl-, (1«alpha»,3a«beta»,4«alpha»,8a«beta»,9S*)-
• (1«alpha»,3a«beta»,4«alpha»,8a«beta»,9S*)-octahydro-4,8,8,9-tetramethyl-1,4-methanoazulen-2(1H)-one

• 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°	76.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-315.09	kJ/mol	Joback Calculated Property
ΔfusH°	14.94	kJ/mol	Joback Calculated Property
ΔvapH°	50.08	kJ/mol	Joback Calculated Property
log10WS	-3.62		Crippen Calculated Property
logPoct/wat	3.674		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2081.22	kPa	Joback Calculated Property
Inp	[1577.90; 1622.00]
Inp	1620.00		NIST
Inp	1577.90		NIST
Inp	1579.60		NIST
Inp	1610.00		NIST
Inp	1622.00		NIST
Inp	1620.00		NIST
Inp	1610.00		NIST
I	[2032.90; 2072.00]
I	2032.90		NIST
I	2037.40		NIST
I	2072.00		NIST
I	2032.90		NIST
I	2072.00		NIST
Tboil	625.65	K	Joback Calculated Property
Tc	861.18	K	Joback Calculated Property
Tfus	408.89	K	Joback Calculated Property
Vc	0.731	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[566.07; 694.73]	J/mol×K	[625.65; 861.18]
Cp,gas	566.07	J/mol×K	625.65	Joback Calculated Property
Cp,gas	589.71	J/mol×K	664.90	Joback Calculated Property
Cp,gas	612.09	J/mol×K	704.16	Joback Calculated Property
Cp,gas	633.49	J/mol×K	743.41	Joback Calculated Property
Cp,gas	654.20	J/mol×K	782.67	Joback Calculated Property
Cp,gas	674.52	J/mol×K	821.92	Joback Calculated Property
Cp,gas	694.73	J/mol×K	861.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isolongifolanone.

Sources

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

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