Chemical Properties of 12,15-Epoxy-12,14-labdadien-8-ol

InChI

InChI=1S/C20H32O2/c1-14-8-12-22-15(14)13-17-19(4)10-6-9-18(2,3)16(19)7-11-20(17,5)21/h8,12,16-17,21H,6-7,9-11,13H2,1-5H3/t16?,17-,19+,20?/m1/s1

InChI Key

GWTHBPSLWRXRSF-NSPNGIHDSA-N

Formula

C20H32O2

SMILES

Cc1ccoc1CC1C(C)(O)CCC2C(C)(C)CCCC21C

Molecular Weight¹

304.47

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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 : 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	0.6252		Relay (... Calculated Property
ΔfG°	9.35	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-417.69	kJ/mol	Relay (... Calculated Property
ΔvapH°	106.82	kJ/mol	Relay (... Calculated Property
IE	8.16	eV	Relay (... Calculated Property
log10WS	-4.00		Relay (... Calculated Property
logPoct/wat	5.124		Crippen Calculated Property
McVol	263.220	ml/mol	McGowan Calculated Property
Pc	1545.09	kPa	Relay (... Calculated Property ⚠️
I	[2952.00; 2952.00]
I	2952.00		NIST
I	2952.00		NIST
Tboil	633.09	K	Relay (... Calculated Property
Tc	877.63	K	Relay (... Calculated Property
Tfus	380.95	K	Relay (... Calculated Property
Vc	0.951	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 12,15-Epoxy-12,14-labdadien-8-ol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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