Chemical Properties of caryophylladienol

InChI

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

InChI Key

ASLIKDGYUZGYOV-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C1CCC2C(CC2(C)C)C(=C)CC(O)C1

Molecular Weight¹

220.35

• 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.
• 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
ω	0.4714		Relay (1.0) Calculated Property
ΔfG°	84.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-266.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.99	kJ/mol	Joback Calculated Property
ΔvapH°	91.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-3.62		Relay (1.0) 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	[1611.00; 1632.00]
Inp	1629.00		NIST
Inp	1619.00		NIST
Inp	1629.00		NIST
Inp	1632.00		NIST
Inp	1611.00		NIST
Inp	1623.00		NIST
Inp	1629.00		NIST
I	[2316.00; 2320.00]
I	2316.00		NIST
I	2320.00		NIST
I	2316.00		NIST
Tboil	581.05	K	Relay (1.0) Calculated Property
Tc	794.67	K	Relay (1.0) Calculated Property
Tfus	347.37	K	Relay (1.0) Calculated Property
Vc	0.648	m3/kmol	Relay (1.0) 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.

Sources

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

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