Chemical Properties of 12-Hydroxy-«beta»-caryophyllene acetate

InChI

InChI=1S/C17H26O2/c1-12-6-5-7-13(2)15-10-17(4,11-19-14(3)18)16(15)9-8-12/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6-/t15-,16-,17?/m0/s1

InChI Key

VKTLOEXWZVKMMV-LAPICBTHSA-N

Formula

C17H26O2

SMILES

C=C1CCC=C(C)CCC2C1CC2(C)COC(C)=O

Molecular Weight¹

262.39

• 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 : 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°	-20.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-398.76	kJ/mol	Joback Calculated Property
ΔfusH°	22.79	kJ/mol	Joback Calculated Property
ΔvapH°	62.93	kJ/mol	Joback Calculated Property
log10WS	-4.57		Crippen Calculated Property
logPoct/wat	4.268		Crippen Calculated Property
McVol	227.510	ml/mol	McGowan Calculated Property
Pc	1784.86	kPa	Joback Calculated Property
I	[2331.00; 2331.00]
I	2331.00		NIST
I	2331.00		NIST
I	2331.00		NIST
Tboil	698.35	K	Joback Calculated Property
Tc	919.73	K	Joback Calculated Property
Tfus	418.41	K	Joback Calculated Property
Vc	0.853	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.66; 784.38]	J/mol×K	[698.35; 919.73]
Cp,gas	669.66	J/mol×K	698.35	Joback Calculated Property
Cp,gas	691.18	J/mol×K	735.25	Joback Calculated Property
Cp,gas	711.58	J/mol×K	772.14	Joback Calculated Property
Cp,gas	730.98	J/mol×K	809.04	Joback Calculated Property
Cp,gas	749.50	J/mol×K	845.93	Joback Calculated Property
Cp,gas	767.26	J/mol×K	882.83	Joback Calculated Property
Cp,gas	784.38	J/mol×K	919.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 12-Hydroxy-«beta»-caryophyllene acetate.

Sources

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

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