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_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).
• IE : Ionization energy (eV).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-672.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.73	kJ/mol	Joback Calculated Property
ΔvapH°	116.57	kJ/mol	Relay (1.0) Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
log10WS	-5.55		Relay (1.0) Calculated Property
logPoct/wat	5.225		Crippen Calculated Property
McVol	288.200	ml/mol	McGowan Calculated Property
Inp	[2516.00; 2516.00]
Inp	2516.00		NIST
Inp	2516.00		NIST
Tboil	663.99	K	Relay (1.0) Calculated Property
Tfus	407.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[886.66; 953.67]	J/mol×K	[881.84; 1104.82]
Cp,gas	886.66	J/mol×K	881.84	Joback Calculated Property
Cp,gas	901.43	J/mol×K	919.00	Joback Calculated Property
Cp,gas	914.70	J/mol×K	956.17	Joback Calculated Property
Cp,gas	926.52	J/mol×K	993.33	Joback Calculated Property
Cp,gas	936.93	J/mol×K	1030.49	Joback Calculated Property
Cp,gas	945.96	J/mol×K	1067.66	Joback Calculated Property
Cp,gas	953.67	J/mol×K	1104.82	Joback Calculated Property
η	[0.0000275; 0.0006598]	Pa×s	[470.24; 881.84]
η	0.0006598	Pa×s	470.24	Joback Calculated Property
η	0.0002773	Pa×s	538.84	Joback Calculated Property
η	0.0001418	Pa×s	607.44	Joback Calculated Property
η	0.0000831	Pa×s	676.04	Joback Calculated Property
η	0.0000537	Pa×s	744.64	Joback Calculated Property
η	0.0000374	Pa×s	813.24	Joback Calculated Property
η	0.0000275	Pa×s	881.84	Joback Calculated Property

Similar Compounds

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

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.