Chemical Properties of hexestrol bis(«beta»-diethyl-aminoethyl ether)

InChI

InChI=1S/C32H52N2O2/c1-7-13-31(27-15-19-29(20-16-27)35-25-23-33(9-3)10-4)32(14-8-2)28-17-21-30(22-18-28)36-26-24-34(11-5)12-6/h15-22,31-32H,7-14,23-26H2,1-6H3

InChI Key

GKMRDSMWVSUEQQ-UHFFFAOYSA-N

Formula

C32H52N2O2

SMILES

CCCC(c1ccc(OCCN(CC)CC)cc1)C(CCC)c1ccc(OCCN(CC)CC)cc1

Molecular Weight¹

496.77

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	67.31	kJ/mol	Joback Calculated Property
log10WS	-6.70		Relay (1.0) Calculated Property
logPoct/wat	7.595		Crippen Calculated Property
McVol	445.920	ml/mol	McGowan Calculated Property
Inp	[3205.00; 3255.00]
Inp	3205.00		NIST
Inp	3255.00		NIST
Inp	3205.00		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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1576.74; 1672.45]	J/mol×K	[1063.92; 1306.85]
Cp,gas	1576.74	J/mol×K	1063.92	Joback Calculated Property
Cp,gas	1596.71	J/mol×K	1104.41	Joback Calculated Property
Cp,gas	1614.90	J/mol×K	1144.90	Joback Calculated Property
Cp,gas	1631.43	J/mol×K	1185.38	Joback Calculated Property
Cp,gas	1646.45	J/mol×K	1225.87	Joback Calculated Property
Cp,gas	1660.07	J/mol×K	1266.36	Joback Calculated Property
Cp,gas	1672.45	J/mol×K	1306.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to hexestrol bis(«beta»-diethyl-aminoethyl ether).

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.
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