Chemical Properties of Caryophylla-4(14),8(15)-dien-5«beta»-ol

InChI

InChI=1S/C15H26O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h14,16H,1-2,5-11H2,3-4H3/t14-/m0/s1

InChI Key

MRNBNSIHBSPJFJ-AWEZNQCLSA-N

Formula

C15H26O

SMILES

C=C1CCC(O)C(=C)CCCC(C)(C)CC1

Molecular Weight¹

222.37

Other Names

• Caryophylla-4(14),8(15)-dien-5«beta»-ol (=Caryophylladienol I)

• 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°	-4.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-318.26	kJ/mol	Joback Calculated Property
ΔfusH°	12.48	kJ/mol	Joback Calculated Property
ΔvapH°	65.81	kJ/mol	Joback Calculated Property
log10WS	-4.84		Crippen Calculated Property
logPoct/wat	4.230		Crippen Calculated Property
McVol	208.620	ml/mol	McGowan Calculated Property
Pc	2092.66	kPa	Joback Calculated Property
Inp	[1612.00; 1642.00]
Inp	1624.00		NIST
Inp	1628.00		NIST
Inp	1642.00		NIST
Inp	1636.00		NIST
Inp	1638.00		NIST
Inp	1642.00		NIST
Inp	Outlier 1612.00		NIST
Inp	1641.00		NIST
Inp	1623.00		NIST
Inp	1636.00		NIST
Inp	1624.00		NIST
Inp	1641.00		NIST
I	[2267.00; 2316.00]
I	2267.00		NIST
I	2296.00		NIST
I	2316.00		NIST
I	2316.00		NIST
I	2267.00		NIST
Tboil	669.57	K	Joback Calculated Property
Tc	883.39	K	Joback Calculated Property
Tfus	356.43	K	Joback Calculated Property
Vc	0.752	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[595.81; 707.67]	J/mol×K	[669.57; 883.39]
Cp,gas	595.81	J/mol×K	669.57	Joback Calculated Property
Cp,gas	617.00	J/mol×K	705.21	Joback Calculated Property
Cp,gas	637.09	J/mol×K	740.84	Joback Calculated Property
Cp,gas	656.13	J/mol×K	776.48	Joback Calculated Property
Cp,gas	674.20	J/mol×K	812.12	Joback Calculated Property
Cp,gas	691.35	J/mol×K	847.76	Joback Calculated Property
Cp,gas	707.67	J/mol×K	883.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Caryophylla-4(14),8(15)-dien-5«beta»-ol.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.