Chemical Properties of Exo methylene isomer of Caryophyllenol I

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/t12-,13-,14-/m0/s1

InChI Key

CIIYOYPOMGIECX-IHRRRGAJSA-N

Formula

C15H24O

SMILES

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

Molecular Weight¹

220.35

Other Names

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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4721		Relay (... Calculated Property
ΔfG°	84.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-241.79	kJ/mol	Relay (... Calculated Property
ΔfusH°	17.99	kJ/mol	Joback Calculated Property
ΔvapH°	91.70	kJ/mol	Relay (... Calculated Property
IE	8.88	eV	Relay (... Calculated Property
log10WS	-3.64		Relay (... 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	[1636.00; 1639.00]
Inp	1639.00		NIST
Inp	1636.00		NIST
Inp	1637.00		NIST
Inp	1639.00		NIST
Tboil	577.46	K	Relay (... Calculated Property
Tc	797.67	K	Relay (... Calculated Property
Tfus	368.08	K	Relay (... Calculated Property
Vc	0.649	m3/kmol	Relay (... 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 Exo methylene isomer of Caryophyllenol I.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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