Chemical Properties of ((1,2-Diethylethylene)bis(p-phenylene))diacetate (CAS 4547-76-6)

InChI

InChI=1S/C22H26O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h7-14,21-22H,5-6H2,1-4H3

InChI Key

GWEREDCWIUZACS-UHFFFAOYSA-N

Formula

C22H26O4

SMILES

CCC(c1ccc(OC(C)=O)cc1)C(CC)c1ccc(OC(C)=O)cc1

Molecular Weight¹

354.44

CAS

4547-76-6

Other Names

• Hexestrol, O,O'-di(acetyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-132.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-547.45	kJ/mol	Joback Calculated Property
ΔfusH°	38.57	kJ/mol	Joback Calculated Property
ΔvapH°	87.98	kJ/mol	Joback Calculated Property
log10WS	-6.12		Crippen Calculated Property
logPoct/wat	5.225		Crippen Calculated Property
McVol	288.200	ml/mol	McGowan Calculated Property
Pc	1490.74	kPa	Joback Calculated Property
Inp	[2516.00; 2516.00]
Inp	2516.00		NIST
Inp	2516.00		NIST
Tboil	917.78	K	Joback Calculated Property
Tc	1144.86	K	Joback Calculated Property
Tfus	529.90	K	Joback Calculated Property
Vc	1.087	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[897.76; 963.87]	J/mol×K	[917.78; 1144.86]
Cp,gas	897.76	J/mol×K	917.78	Joback Calculated Property
Cp,gas	912.19	J/mol×K	955.63	Joback Calculated Property
Cp,gas	925.21	J/mol×K	993.47	Joback Calculated Property
Cp,gas	936.84	J/mol×K	1031.32	Joback Calculated Property
Cp,gas	947.14	J/mol×K	1069.17	Joback Calculated Property
Cp,gas	956.14	J/mol×K	1107.01	Joback Calculated Property
Cp,gas	963.87	J/mol×K	1144.86	Joback Calculated Property
η	[0.0000361; 0.0004479]	Pa×s	[529.90; 917.78]
η	0.0004479	Pa×s	529.90	Joback Calculated Property
η	0.0002343	Pa×s	594.55	Joback Calculated Property
η	0.0001391	Pa×s	659.19	Joback Calculated Property
η	0.0000907	Pa×s	723.84	Joback Calculated Property
η	0.0000634	Pa×s	788.49	Joback Calculated Property
η	0.0000468	Pa×s	853.13	Joback Calculated Property
η	0.0000361	Pa×s	917.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to ((1,2-Diethylethylene)bis(p-phenylene))diacetate.

Sources

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

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