Chemical Properties of caryophyllan-2,6-«beta»-oxide

InChI

InChI=1S/C15H26O/c1-9-5-11-7-10(2)12-8-15(3,4)14(12)13(6-9)16-11/h9-14H,5-8H2,1-4H3/t9?,10?,11-,12?,13+,14?/m0/s1

InChI Key

NMNXPYBXLIGRGP-XBQBKKMYSA-N

Formula

C15H26O

SMILES

CC1CC2CC(C)C3CC(C)(C)C3C(C1)O2

Molecular Weight¹

222.37

Other Names

• Caryophyllane-2,6-«beta»-oxide

• 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°	98.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-351.13	kJ/mol	Joback Calculated Property
ΔfusH°	28.68	kJ/mol	Joback Calculated Property
ΔvapH°	51.36	kJ/mol	Joback Calculated Property
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	3.872		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	1908.57	kPa	Joback Calculated Property
Inp	[1559.00; 1590.00]
Inp	1590.00		NIST
Inp	1559.00		NIST
Tboil	584.14	K	Joback Calculated Property
Tc	802.98	K	Joback Calculated Property
Tfus	335.58	K	Joback Calculated Property
Vc	0.738	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[563.79; 696.11]	J/mol×K	[584.14; 802.98]
Cp,gas	563.79	J/mol×K	584.14	Joback Calculated Property
Cp,gas	589.19	J/mol×K	620.61	Joback Calculated Property
Cp,gas	613.03	J/mol×K	657.09	Joback Calculated Property
Cp,gas	635.49	J/mol×K	693.56	Joback Calculated Property
Cp,gas	656.71	J/mol×K	730.03	Joback Calculated Property
Cp,gas	676.87	J/mol×K	766.51	Joback Calculated Property
Cp,gas	696.11	J/mol×K	802.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to caryophyllan-2,6-«beta»-oxide.

Sources

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

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