Chemical Properties of 6,10-epoxybisabol-3-en-12-al

InChI

InChI=1S/C15H24O2/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)17-15(13)8-10/h4,9,11-15H,5-8H2,1-3H3/t11-,12?,13?,14?,15?/m1/s1

InChI Key

NPSHXIOPYGVQEX-SHIHICALSA-N

Formula

C15H24O2

SMILES

CC1=CCC2C(C)CCC(C(C)C=O)OC2C1

Molecular Weight¹

236.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-46.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-455.36	kJ/mol	Joback Calculated Property
ΔfusH°	30.10	kJ/mol	Joback Calculated Property
ΔvapH°	60.85	kJ/mol	Joback Calculated Property
log10WS	-3.61		Crippen Calculated Property
logPoct/wat	3.361		Crippen Calculated Property
McVol	203.630	ml/mol	McGowan Calculated Property
Pc	1984.12	kPa	Joback Calculated Property
Inp	[1675.00; 1675.00]
Inp	1675.00		NIST
Inp	1675.00		NIST
Tboil	647.40	K	Joback Calculated Property
Tc	867.03	K	Joback Calculated Property
Tfus	335.46	K	Joback Calculated Property
Vc	0.765	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[592.44; 705.18]	J/mol×K	[647.40; 867.03]
Cp,gas	592.44	J/mol×K	647.40	Joback Calculated Property
Cp,gas	614.65	J/mol×K	684.00	Joback Calculated Property
Cp,gas	635.44	J/mol×K	720.61	Joback Calculated Property
Cp,gas	654.86	J/mol×K	757.21	Joback Calculated Property
Cp,gas	672.93	J/mol×K	793.82	Joback Calculated Property
Cp,gas	689.69	J/mol×K	830.42	Joback Calculated Property
Cp,gas	705.18	J/mol×K	867.03	Joback Calculated Property
η	[0.0003630; 0.0034763]	Pa×s	[335.46; 647.40]
η	0.0034763	Pa×s	335.46	Joback Calculated Property
η	0.0018530	Pa×s	387.45	Joback Calculated Property
η	0.0011462	Pa×s	439.44	Joback Calculated Property
η	0.0007849	Pa×s	491.43	Joback Calculated Property
η	0.0005779	Pa×s	543.42	Joback Calculated Property
η	0.0004488	Pa×s	595.41	Joback Calculated Property
η	0.0003630	Pa×s	647.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6,10-epoxybisabol-3-en-12-al.

Sources

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

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