Chemical Properties of Isocaryophyllene oxide (CAS 17627-43-9)

InChI

InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m0/s1

InChI Key

NVEQFIOZRFFVFW-XPCVCDNBSA-N

Formula

C15H24O

SMILES

C=C1CCC2OC2(C)CCC2C1CC2(C)C

Molecular Weight¹

220.35

CAS

17627-43-9

Other Names

• 4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane

• 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°	161.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-210.97	kJ/mol	Joback Calculated Property
ΔfusH°	19.08	kJ/mol	Joback Calculated Property
ΔvapH°	50.99	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.936		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2145.33	kPa	Joback Calculated Property
Inp	[1527.00; 1564.00]
Inp	1555.00		NIST
Inp	1564.00		NIST
Inp	1527.00		NIST
Inp	1555.00		NIST
I	[1976.00; 2003.00]
I	2003.00		NIST
I	Outlier 1976.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2000.00		NIST
I	2000.00		NIST
I	2000.00		NIST
I	2000.00		NIST
I	2000.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2000.00		NIST
I	2001.00		NIST
I	2000.00		NIST
I	2001.00		NIST
I	2001.00		NIST
I	2000.00		NIST
I	2000.00		NIST
I	2000.00		NIST
I	2000.00		NIST
I	2000.00		NIST
I	2003.00		NIST
I	2000.00		NIST
Tboil	592.88	K	Joback Calculated Property
Tc	822.50	K	Joback Calculated Property
Tfus	381.64	K	Joback Calculated Property
Vc	0.722	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.37; 661.78]	J/mol×K	[592.88; 822.50]
Cp,gas	539.37	J/mol×K	592.88	Joback Calculated Property
Cp,gas	562.46	J/mol×K	631.15	Joback Calculated Property
Cp,gas	584.07	J/mol×K	669.42	Joback Calculated Property
Cp,gas	604.52	J/mol×K	707.69	Joback Calculated Property
Cp,gas	624.09	J/mol×K	745.96	Joback Calculated Property
Cp,gas	643.08	J/mol×K	784.23	Joback Calculated Property
Cp,gas	661.78	J/mol×K	822.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isocaryophyllene oxide.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.