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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.15	kJ/mol	Joback Calculated Property
logPoct/wat	2.615		Crippen Calculated Property
McVol	215.180	ml/mol	McGowan Calculated Property
Inp	[1975.00; 1975.00]
Inp	1975.00		NIST
Inp	1975.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[309.51; 744.54]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.24850e+01
Coefficient B			1.37924e+00
Coefficient C			-7.72920e-04
Coefficient D			1.50700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	309.51	J/mol×K	273.00	Calculated Property
Cp,gas	385.39	J/mol×K	353.78	Calculated Property
Cp,gas	453.28	J/mol×K	434.56	Calculated Property
Cp,gas	513.64	J/mol×K	515.33	Calculated Property
Cp,gas	566.96	J/mol×K	596.11	Calculated Property
Cp,gas	613.71	J/mol×K	676.89	Calculated Property
Cp,gas	654.36	J/mol×K	757.67	Calculated Property
Cp,gas	689.40	J/mol×K	838.44	Calculated Property
Cp,gas	719.30	J/mol×K	919.22	Calculated Property
Cp,gas	744.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethomoxane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.