Chemical Properties of Artedouglasia oxide A (CAS 115403-96-8)

InChI

InChI=1S/C15H22O3/c1-6-14(4)10-8-12(17-14)15(5)11(16)7-9-13(2,3)18-15/h6-7,9,12H,1,8,10H2,2-5H3

InChI Key

YDGSUVJUYWCJCE-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

C=CC1(C)CCC(C2(C)OC(C)(C)C=CC2=O)O1

Molecular Weight¹

250.33

CAS

115403-96-8

Other Names

• Artedouglosia oxide A
• A-Artedouglasia oxide

• 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°	-72.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-451.58	kJ/mol	Joback Calculated Property
ΔfusH°	19.03	kJ/mol	Joback Calculated Property
ΔvapH°	58.49	kJ/mol	Joback Calculated Property
log10WS	-3.50		Crippen Calculated Property
logPoct/wat	2.803		Crippen Calculated Property
McVol	205.200	ml/mol	McGowan Calculated Property
Pc	2248.26	kPa	Joback Calculated Property
Inp	[1497.00; 1542.50]
Inp	1533.00		NIST
Inp	1541.70		NIST
Inp	1542.50		NIST
Inp	1511.00		NIST
Inp	1535.00		NIST
Inp	1511.00		NIST
Inp	Outlier 1497.00		NIST
Inp	1529.00		NIST
Inp	1534.00		NIST
Inp	1535.00		NIST
Inp	1509.00		NIST
Inp	1533.00		NIST
Tboil	686.37	K	Joback Calculated Property
Tc	938.78	K	Joback Calculated Property
Tfus	460.67	K	Joback Calculated Property
Vc	0.757	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[605.71; 738.19]	J/mol×K	[686.37; 938.78]
Cp,gas	605.71	J/mol×K	686.37	Joback Calculated Property
Cp,gas	627.81	J/mol×K	728.44	Joback Calculated Property
Cp,gas	649.33	J/mol×K	770.51	Joback Calculated Property
Cp,gas	670.71	J/mol×K	812.57	Joback Calculated Property
Cp,gas	692.36	J/mol×K	854.64	Joback Calculated Property
Cp,gas	714.72	J/mol×K	896.71	Joback Calculated Property
Cp,gas	738.19	J/mol×K	938.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Artedouglasia oxide A.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.