Chemical Properties of Cabreuva oxide A

InChI

InChI=1S/C15H24O/c1-6-15(5)10-12-9-11(2)7-8-13(12)14(3,4)16-15/h6,9,12-13H,1,7-8,10H2,2-5H3/t12-,13+,15-/m0/s1

InChI Key

NIGRJVWIKNICMW-GUTXKFCHSA-N

Formula

C15H24O

SMILES

C=CC1(C)CC2C=C(C)CCC2C(C)(C)O1

Molecular Weight¹

220.35

• 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°	144.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-202.43	kJ/mol	Joback Calculated Property
ΔfusH°	19.55	kJ/mol	Joback Calculated Property
ΔvapH°	51.37	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	4.103		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2029.06	kPa	Joback Calculated Property
Inp	[1437.00; 1439.00]
Inp	1437.00		NIST
Inp	1439.00		NIST
Inp	1437.00		NIST
Inp	1439.00		NIST
I	1687.00		NIST
Tboil	592.07	K	Joback Calculated Property
Tc	819.27	K	Joback Calculated Property
Tfus	358.02	K	Joback Calculated Property
Vc	0.740	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[534.65; 654.14]	J/mol×K	[592.07; 819.27]
Cp,gas	534.65	J/mol×K	592.07	Joback Calculated Property
Cp,gas	557.08	J/mol×K	629.94	Joback Calculated Property
Cp,gas	578.17	J/mol×K	667.80	Joback Calculated Property
Cp,gas	598.16	J/mol×K	705.67	Joback Calculated Property
Cp,gas	617.32	J/mol×K	743.54	Joback Calculated Property
Cp,gas	635.90	J/mol×K	781.40	Joback Calculated Property
Cp,gas	654.14	J/mol×K	819.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cabreuva oxide A.

Sources

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

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