Chemical Properties of 3,4,10,11-Tetradehydrocadinan-8-one

InChI

InChI=1S/C15H22O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h7,9,12-13,15H,4-6,8H2,1-3H3/t12?,13?,15-/m1/s1

InChI Key

UDWPGSSJAAPTCK-SSDMNJCBSA-N

Formula

C15H22O

SMILES

C=C1CC(=O)C(C(C)C)C2C=C(C)CCC12

Molecular Weight¹

218.33

• 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.
• 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
ΔfG°	89.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-264.74	kJ/mol	Joback Calculated Property
ΔfusH°	19.21	kJ/mol	Joback Calculated Property
ΔvapH°	54.16	kJ/mol	Joback Calculated Property
log10WS	-3.91		Crippen Calculated Property
logPoct/wat	3.760		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Pc	1978.82	kPa	Joback Calculated Property
Inp	[1692.00; 1696.00]
Inp	1692.00		NIST
Inp	1696.00		NIST
Inp	1692.00		NIST
I	[2181.00; 2224.00]
I	2224.00		NIST
I	2181.00		NIST
I	2224.00		NIST
Tboil	639.17	K	Joback Calculated Property
Tc	866.07	K	Joback Calculated Property
Tfus	356.55	K	Joback Calculated Property
Vc	0.728	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[543.23; 655.13]	J/mol×K	[639.17; 866.07]
Cp,gas	543.23	J/mol×K	639.17	Joback Calculated Property
Cp,gas	565.16	J/mol×K	676.99	Joback Calculated Property
Cp,gas	585.76	J/mol×K	714.80	Joback Calculated Property
Cp,gas	605.04	J/mol×K	752.62	Joback Calculated Property
Cp,gas	623.01	J/mol×K	790.44	Joback Calculated Property
Cp,gas	639.71	J/mol×K	828.25	Joback Calculated Property
Cp,gas	655.13	J/mol×K	866.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4,10,11-Tetradehydrocadinan-8-one.

Sources

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

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