Chemical Properties of Caryophylladienol II (CAS 19431-79-9)

InChI

InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3

InChI Key

CIIYOYPOMGIECX-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C1CCC2C(CC2(C)C)C(=C)CCC1O

Molecular Weight¹

220.35

CAS

19431-79-9

Other Names

• Caryophylla-4(14),8(15)-dien-5«alpha»-ol
• Caryophylla-2(12),6(13)-dien-5-«alpha»-ol
• Caryophylla-4(14),8(15)-dien-5a-ol
• Caryophylla-2(12),6(13)-dien-5 «alpha»-ol (caryophylladienol II)
• caryophylla-2(12),6(13)-dien-5«alpha»-ol (= caryophylladienol II)
• Caryophylla-4(14),8(15)-dien-5«alpha»-ol (=Caryophylladienol II)
• «alpha»-Caryophylla-4(14),8(15)-dien-5-ol
• Caryophylla-2(12),6(13)-dien-5 a-ol (Caryophylladienol II)
• Caryophyll«alpha»-2(12),6(13)-dien-5- «alpha»-ol (=Caryophylladienol-II)
• 5-«alpha»-Hydroxycaryophylla-4(12),8(13)-diene
• Caryophyll«alpha»-2(12)-6(13)-dien-5«alpha»-ol
• caryophylladienol II (caryophylla-2(12),6(13)-dien-5 -ol)

• 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°	84.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-247.32	kJ/mol	Joback Calculated Property
ΔfusH°	17.99	kJ/mol	Joback Calculated Property
ΔvapH°	64.90	kJ/mol	Joback Calculated Property
log10WS	-4.25		Crippen Calculated Property
logPoct/wat	3.696		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2135.43	kPa	Joback Calculated Property
Inp	[1602.00; 1678.00]
Inp	1631.00		NIST
Inp	1641.00		NIST
Inp	1624.00		NIST
Inp	1637.00		NIST
Inp	1627.00		NIST
Inp	1623.00		NIST
Inp	1639.00		NIST
Inp	1622.00		NIST
Inp	1640.20		NIST
Inp	1637.00		NIST
Inp	1631.00		NIST
Inp	1627.00		NIST
Inp	Outlier 1678.00		NIST
Inp	1656.00		NIST
Inp	1643.00		NIST
Inp	1615.00		NIST
Inp	1630.00		NIST
Inp	1638.00		NIST
Inp	1628.00		NIST
Inp	Outlier 1602.00		NIST
Inp	1611.00		NIST
Inp	1635.00		NIST
Inp	1622.00		NIST
Inp	1622.00		NIST
Inp	1627.00		NIST
Inp	1641.00		NIST
Inp	1641.00		NIST
Inp	1634.00		NIST
Inp	1641.00		NIST
Inp	Outlier 1604.00		NIST
Inp	1635.00		NIST
Inp	1641.00		NIST
Inp	1632.00		NIST
Inp	1641.00		NIST
Inp	1628.00		NIST
Inp	1623.00		NIST
Inp	1641.00		NIST
Inp	1624.00		NIST
Inp	1622.00		NIST
Inp	1631.00		NIST
I	[2285.00; 2336.00]
I	Outlier 2294.00		NIST
I	Outlier 2287.00		NIST
I	2302.00		NIST
I	Outlier 2285.00		NIST
I	Outlier 2294.00		NIST
I	2324.00		NIST
I	2336.00		NIST
I	2316.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2324.00		NIST
I	2316.00		NIST
I	2316.00		NIST
I	2316.00		NIST
I	2320.00		NIST
Tboil	658.83	K	Joback Calculated Property
Tc	866.81	K	Joback Calculated Property
Tfus	380.69	K	Joback Calculated Property
Vc	0.733	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.21; 680.34]	J/mol×K	[658.83; 866.81]
Cp,gas	575.21	J/mol×K	658.83	Joback Calculated Property
Cp,gas	594.89	J/mol×K	693.49	Joback Calculated Property
Cp,gas	613.57	J/mol×K	728.16	Joback Calculated Property
Cp,gas	631.35	J/mol×K	762.82	Joback Calculated Property
Cp,gas	648.34	J/mol×K	797.48	Joback Calculated Property
Cp,gas	664.64	J/mol×K	832.14	Joback Calculated Property
Cp,gas	680.34	J/mol×K	866.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Caryophylladienol II.

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.