Chemical Properties of Methyl 7,11-di-epi-6,10-epoxybisabol-2-en-12-oate

InChI

InChI=1S/C16H26O3/c1-11-7-9-16(10-8-11)12(2)5-6-14(19-16)13(3)15(17)18-4/h7,9,11-14H,5-6,8,10H2,1-4H3/t11?,12-,13?,14?,16?/m0/s1

InChI Key

GUKDPQPFRORGOO-WBNCRLLSSA-N

Formula

C16H26O3

SMILES

COC(=O)C(C)C1CCC(C)C2(C=CC(C)CC2)O1

Molecular Weight¹

266.38

• 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.
• 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°	-168.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-608.51	kJ/mol	Joback Calculated Property
ΔfusH°	27.28	kJ/mol	Joback Calculated Property
ΔvapH°	63.70	kJ/mol	Joback Calculated Property
log10WS	-3.61		Crippen Calculated Property
logPoct/wat	3.335		Crippen Calculated Property
McVol	223.590	ml/mol	McGowan Calculated Property
Pc	1875.65	kPa	Joback Calculated Property
Inp	[1771.00; 1771.00]
Inp	1771.00		NIST
Inp	1771.00		NIST
Tboil	693.17	K	Joback Calculated Property
Tc	917.68	K	Joback Calculated Property
Tfus	388.27	K	Joback Calculated Property
Vc	0.827	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[675.80; 793.80]	J/mol×K	[693.17; 917.68]
Cp,gas	675.80	J/mol×K	693.17	Joback Calculated Property
Cp,gas	698.16	J/mol×K	730.59	Joback Calculated Property
Cp,gas	719.27	J/mol×K	768.01	Joback Calculated Property
Cp,gas	739.27	J/mol×K	805.42	Joback Calculated Property
Cp,gas	758.27	J/mol×K	842.84	Joback Calculated Property
Cp,gas	776.40	J/mol×K	880.26	Joback Calculated Property
Cp,gas	793.80	J/mol×K	917.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 7,11-di-epi-6,10-epoxybisabol-2-en-12-oate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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