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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-10465.00 ± 5.00	kJ/mol	NIST
ΔfG°	-210.86	kJ/mol	Joback Calculated Property
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
ΔvapH°	65.65	kJ/mol	Joback Calculated Property
log10WS	-4.10		Crippen Calculated Property
logPoct/wat	4.178		Crippen Calculated Property
McVol	264.200	ml/mol	McGowan Calculated Property
Pc	1413.31	kPa	Joback 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	726.12	K	Joback Calculated Property
Tc	925.82	K	Joback Calculated Property
Tfus	425.32	K	Joback Calculated Property
Ttriple	[326.21; 326.61]	K
Ttriple	326.61 ± 0.02	K	NIST
Ttriple	326.21 ± 0.01	K	NIST
Vc	0.986	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[780.30; 877.11]	J/mol×K	[726.12; 925.82]
Cp,gas	780.30	J/mol×K	726.12	Joback Calculated Property
Cp,gas	799.26	J/mol×K	759.40	Joback Calculated Property
Cp,gas	817.05	J/mol×K	792.69	Joback Calculated Property
Cp,gas	833.70	J/mol×K	825.97	Joback Calculated Property
Cp,gas	849.25	J/mol×K	859.25	Joback Calculated Property
Cp,gas	863.70	J/mol×K	892.54	Joback Calculated Property
Cp,gas	877.11	J/mol×K	925.82	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	[0.0000300; 0.0005336]	Pa×s	[425.32; 726.12]
η	0.0005336	Pa×s	425.32	Joback Calculated Property
η	0.0002564	Pa×s	475.45	Joback Calculated Property
η	0.0001417	Pa×s	525.59	Joback Calculated Property
η	0.0000868	Pa×s	575.72	Joback Calculated Property
η	0.0000575	Pa×s	625.85	Joback Calculated Property
η	0.0000405	Pa×s	675.99	Joback Calculated Property
η	0.0000300	Pa×s	726.12	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

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

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