Chemical Properties of p-Diacetylbenzene diethyl ketal (CAS 47189-08-2)

InChI

InChI=1S/C18H30O4/c1-7-19-17(5,20-8-2)15-11-13-16(14-12-15)18(6,21-9-3)22-10-4/h11-14H,7-10H2,1-6H3

InChI Key

OKYWFWIKJZITQH-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CCOC(C)(OCC)c1ccc(C(C)(OCC)OCC)cc1

Molecular Weight¹

310.43

CAS

47189-08-2

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-10465.00 ± 5.00	kJ/mol	NIST
ΔfH°gas	-793.60 ± 9.00	kJ/mol	NIST
ΔfH°solid	-905.80 ± 7.00	kJ/mol	NIST
ΔfusH°	25.95	kJ/mol	Joback Calculated Property
ΔsubH°	[112.20; 112.20]	kJ/mol
ΔsubH°	112.20 ± 2.00	kJ/mol	NIST
ΔsubH°	112.20	kJ/mol	NIST
ΔsubH°	112.20 ± 2.00	kJ/mol	NIST
ΔvapH°	84.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
logPoct/wat	4.178		Crippen Calculated Property
McVol	264.200	ml/mol	McGowan Calculated Property
S°solid,1 bar	[493.80; 493.80]	J/mol×K
S°solid,1 bar	493.80	J/mol×K	NIST
S°solid,1 bar	493.80	J/mol×K	NIST
Tboil	565.28	K	Relay (1.0) Calculated Property
Tfus	265.52	K	Relay (1.0) Calculated Property
Ttriple	[326.21; 326.61]	K
Ttriple	326.61 ± 0.02	K	NIST
Ttriple	326.21 ± 0.01	K	NIST
Ttriple	326.21 ± 0.01	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[780.42; 877.21]	J/mol×K	[726.32; 926.08]
Cp,gas	780.42	J/mol×K	726.32	Joback Calculated Property
Cp,gas	799.37	J/mol×K	759.61	Joback Calculated Property
Cp,gas	817.16	J/mol×K	792.91	Joback Calculated Property
Cp,gas	833.81	J/mol×K	826.20	Joback Calculated Property
Cp,gas	849.35	J/mol×K	859.49	Joback Calculated Property
Cp,gas	863.81	J/mol×K	892.78	Joback Calculated Property
Cp,gas	877.21	J/mol×K	926.08	Joback Calculated Property
Cp,solid	[460.00; 462.00]	J/mol×K	[298.15; 300.00]
Cp,solid	462.00	J/mol×K	298.15	NIST
Cp,solid	460.00	J/mol×K	300.00	NIST
η	[0.0000299; 0.0005336]	Pa×s	[425.32; 726.32]
η	0.0005336	Pa×s	425.32	Joback Calculated Property
η	0.0002563	Pa×s	475.49	Joback Calculated Property
η	0.0001416	Pa×s	525.65	Joback Calculated Property
η	0.0000867	Pa×s	575.82	Joback Calculated Property
η	0.0000575	Pa×s	625.99	Joback Calculated Property
η	0.0000405	Pa×s	676.15	Joback Calculated Property
η	0.0000299	Pa×s	726.32	Joback Calculated Property
ΔfusH	23.50	kJ/mol	326.20	NIST
ΔsubH	112.50	kJ/mol	316.50	NIST
ΔvapH	88.50	kJ/mol	338.00	NIST

Similar Compounds

Find more compounds similar to p-Diacetylbenzene diethyl ketal.

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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