Chemical Properties of Labda-8,13-(E)-dien-15-ol

InChI

InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,18,21H,6-10,12-14H2,1-5H3/b15-11+/t18?,20-/m1/s1

InChI Key

IOHVFDUBRDGOCE-UTWTZVNFSA-N

Formula

C20H34O

SMILES

CC(=CCO)CCC1=C(C)CCC2C(C)(C)CCCC12C

Molecular Weight¹

290.48

• 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	0.6441		Relay (1.0) Calculated Property
ΔfG°	117.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-342.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.33	kJ/mol	Joback Calculated Property
ΔvapH°	106.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-5.02		Relay (1.0) Calculated Property
logPoct/wat	5.648		Crippen Calculated Property
McVol	268.210	ml/mol	McGowan Calculated Property
Pc	1518.75	kPa	Joback Calculated Property
Inp	[2412.00; 2412.00]
Inp	2412.00		NIST
Inp	2412.00		NIST
Tboil	630.06	K	Relay (1.0) Calculated Property
Tc	857.13	K	Relay (1.0) Calculated Property
Tfus	336.15	K	Relay (1.0) Calculated Property
Vc	0.900	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[856.27; 986.70]	J/mol×K	[788.71; 995.81]
Cp,gas	856.27	J/mol×K	788.71	Joback Calculated Property
Cp,gas	877.92	J/mol×K	823.23	Joback Calculated Property
Cp,gas	899.32	J/mol×K	857.74	Joback Calculated Property
Cp,gas	920.67	J/mol×K	892.26	Joback Calculated Property
Cp,gas	942.21	J/mol×K	926.77	Joback Calculated Property
Cp,gas	964.15	J/mol×K	961.29	Joback Calculated Property
Cp,gas	986.70	J/mol×K	995.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Labda-8,13-(E)-dien-15-ol.

Sources

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

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