Chemical Properties of Spirojatamol (CAS 128487-46-7)

InChI

InChI=1S/C15H26O/c1-11(2)13-7-6-12(3)15(10-13)9-5-8-14(15,4)16/h11,13,16H,3,5-10H2,1-2,4H3

InChI Key

AEUBOEQPIBOTGP-UHFFFAOYSA-N

Formula

C15H26O

SMILES

C=C1CCC(C(C)C)CC12CCCC2(C)O

Molecular Weight¹

222.37

CAS

128487-46-7

• 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°	43.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-295.10	kJ/mol	Joback Calculated Property
ΔfusH°	10.36	kJ/mol	Joback Calculated Property
ΔvapH°	63.34	kJ/mol	Joback Calculated Property
log10WS	-4.39		Crippen Calculated Property
logPoct/wat	3.920		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Pc	2220.80	kPa	Joback Calculated Property
Inp	[1592.10; 1592.10]
Inp	1592.10		NIST
Inp	1592.10		NIST
Tboil	659.87	K	Joback Calculated Property
Tc	871.10	K	Joback Calculated Property
Tfus	383.67	K	Joback Calculated Property
Vc	0.750	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[591.59; 701.06]	J/mol×K	[659.87; 871.10]
Cp,gas	591.59	J/mol×K	659.87	Joback Calculated Property
Cp,gas	611.26	J/mol×K	695.07	Joback Calculated Property
Cp,gas	630.08	J/mol×K	730.28	Joback Calculated Property
Cp,gas	648.26	J/mol×K	765.48	Joback Calculated Property
Cp,gas	666.01	J/mol×K	800.69	Joback Calculated Property
Cp,gas	683.54	J/mol×K	835.89	Joback Calculated Property
Cp,gas	701.06	J/mol×K	871.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spirojatamol.

Sources

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

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