Chemical Properties of Spiroxamine (CAS 118134-30-8)

InChI

InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3

InChI Key

PUYXTUJWRLOUCW-UHFFFAOYSA-N

Formula

C18H35NO2

SMILES

CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1

Molecular Weight¹

297.48

CAS

118134-30-8

Other Names

• SPIROXAMINE-1
• SPIROXAMINE-2
• Spiroxamin
• 1,4-Dioxaspiro[4.5]decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-
• 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamine
• Spiroxamine, isomer 1

• 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°	101.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-504.21	kJ/mol	Joback Calculated Property
ΔfusH°	36.58	kJ/mol	Joback Calculated Property
ΔvapH°	64.48	kJ/mol	Joback Calculated Property
log10WS	-4.13		Crippen Calculated Property
logPoct/wat	4.066		Crippen Calculated Property
McVol	264.480	ml/mol	McGowan Calculated Property
Pc	1508.15	kPa	Joback Calculated Property
Inp	[1896.00; 1896.00]
Inp	1896.00		NIST
Inp	1896.00		NIST
Inp	1896.00		NIST
Tboil	700.48	K	Joback Calculated Property
Tc	908.83	K	Joback Calculated Property
Tfus	422.11	K	Joback Calculated Property
Vc	0.972	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[830.03; 958.21]	J/mol×K	[700.48; 908.83]
Cp,gas	830.03	J/mol×K	700.48	Joback Calculated Property
Cp,gas	854.02	J/mol×K	735.20	Joback Calculated Property
Cp,gas	876.74	J/mol×K	769.93	Joback Calculated Property
Cp,gas	898.36	J/mol×K	804.65	Joback Calculated Property
Cp,gas	919.03	J/mol×K	839.38	Joback Calculated Property
Cp,gas	938.93	J/mol×K	874.10	Joback Calculated Property
Cp,gas	958.21	J/mol×K	908.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spiroxamine.

Sources

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

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