Chemical Properties of iso-Longifolol acetate (CAS 18367-70-9)

InChI

InChI=1S/C17H28O2/c1-11(18)19-10-14-12-6-7-13-15(12)16(2,3)8-5-9-17(13,14)4/h12-15H,5-10H2,1-4H3/t12-,13?,14?,15?,17+/m0/s1

InChI Key

FWCPQBUXTSVEIC-MZLGRULDSA-N

Formula

C17H28O2

SMILES

CC(=O)OCC1C2CCC3C2C(C)(C)CCCC13C

Molecular Weight¹

264.40

CAS

18367-70-9

Other Names

• [1S-(1«alpha»,3a«beta»,4«alpha»,8a«beta»,9S*)]-decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-methyl acetate

• 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°	-17.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-463.47	kJ/mol	Joback Calculated Property
ΔfusH°	23.39	kJ/mol	Joback Calculated Property
ΔvapH°	59.45	kJ/mol	Joback Calculated Property
log10WS	-4.04		Crippen Calculated Property
logPoct/wat	4.038		Crippen Calculated Property
McVol	225.250	ml/mol	McGowan Calculated Property
Pc	1775.84	kPa	Joback Calculated Property
Inp	[1813.00; 1822.00]
Inp	1822.00		NIST
Inp	1813.00		NIST
Inp	1822.00		NIST
Tboil	679.88	K	Joback Calculated Property
Tc	898.50	K	Joback Calculated Property
Tfus	435.37	K	Joback Calculated Property
Vc	0.860	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[694.39; 821.54]	J/mol×K	[679.88; 898.50]
Cp,gas	694.39	J/mol×K	679.88	Joback Calculated Property
Cp,gas	717.09	J/mol×K	716.32	Joback Calculated Property
Cp,gas	738.84	J/mol×K	752.75	Joback Calculated Property
Cp,gas	759.91	J/mol×K	789.19	Joback Calculated Property
Cp,gas	780.54	J/mol×K	825.63	Joback Calculated Property
Cp,gas	801.00	J/mol×K	862.06	Joback Calculated Property
Cp,gas	821.54	J/mol×K	898.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to iso-Longifolol acetate.

Sources

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

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