Chemical Properties of Ethomoxane (CAS 16509-23-2)

InChI

InChI=1S/C15H23NO3/c1-3-5-9-16-10-12-11-18-14-8-6-7-13(17-4-2)15(14)19-12/h6-8,12,16H,3-5,9-11H2,1-2H3

InChI Key

WKRAEDUMAWVCOC-UHFFFAOYSA-N

Formula

C15H23NO3

SMILES

CCCCNCC1COc2cccc(OCC)c2O1

Molecular Weight¹

265.35

CAS

16509-23-2

Other Names

• (.+/-.)-2-(Butylaminomethyl)-8-ethoxy-1,4-benzodioxan

• 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°	29.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-415.45	kJ/mol	Joback Calculated Property
ΔfusH°	46.15	kJ/mol	Joback Calculated Property
ΔvapH°	70.53	kJ/mol	Joback Calculated Property
log10WS	-3.54		Crippen Calculated Property
logPoct/wat	2.615		Crippen Calculated Property
McVol	215.180	ml/mol	McGowan Calculated Property
Pc	2021.76	kPa	Joback Calculated Property
Inp	[1975.00; 1975.00]
Inp	1975.00		NIST
Inp	1975.00		NIST
Tboil	716.74	K	Joback Calculated Property
Tc	924.70	K	Joback Calculated Property
Tfus	452.72	K	Joback Calculated Property
Vc	0.811	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[634.50; 721.15]	J/mol×K	[716.74; 924.70]
Cp,gas	634.50	J/mol×K	716.74	Joback Calculated Property
Cp,gas	651.42	J/mol×K	751.40	Joback Calculated Property
Cp,gas	667.29	J/mol×K	786.06	Joback Calculated Property
Cp,gas	682.17	J/mol×K	820.72	Joback Calculated Property
Cp,gas	696.08	J/mol×K	855.38	Joback Calculated Property
Cp,gas	709.06	J/mol×K	890.04	Joback Calculated Property
Cp,gas	721.15	J/mol×K	924.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethomoxane.

Sources

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

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