Chemical Properties of 2,5-Dibutyroxy-4-hydroxy butyrophenone

InChI

InChI=1S/C18H24O6/c1-4-7-13(19)12-10-16(24-18(22)9-6-3)14(20)11-15(12)23-17(21)8-5-2/h10-11,20H,4-9H2,1-3H3

InChI Key

BBDHBFHZJJPZPV-UHFFFAOYSA-N

Formula

C18H24O6

SMILES

CCCC(=O)Oc1cc(C(=O)CCC)c(OC(=O)CCC)cc1O

Molecular Weight¹

336.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[385.66; 851.02]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.04760e+01
Coefficient B			1.53296e+00
Coefficient C			-9.00980e-04
Coefficient D			1.88560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	385.66	J/mol×K	273.00	Calculated Property
Cp,gas	468.39	J/mol×K	353.78	Calculated Property
Cp,gas	541.97	J/mol×K	434.56	Calculated Property
Cp,gas	607.00	J/mol×K	515.33	Calculated Property
Cp,gas	664.07	J/mol×K	596.11	Calculated Property
Cp,gas	713.79	J/mol×K	676.89	Calculated Property
Cp,gas	756.75	J/mol×K	757.67	Calculated Property
Cp,gas	793.54	J/mol×K	838.44	Calculated Property
Cp,gas	824.76	J/mol×K	919.22	Calculated Property
Cp,gas	851.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000547; 0.0000058]	Pa×s	[590.39; 779.06]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.90867e+01
Coefficient B			5.47463e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			590.39
Temperature range, max.			779.06
η	0.0000547	Pa×s	590.39	Calculated Property
η	0.0000398	Pa×s	611.35	Calculated Property
η	0.0000296	Pa×s	632.32	Calculated Property
η	0.0000224	Pa×s	653.28	Calculated Property
η	0.0000173	Pa×s	674.24	Calculated Property
η	0.0000135	Pa×s	695.20	Calculated Property
η	0.0000107	Pa×s	716.17	Calculated Property
η	0.0000086	Pa×s	737.13	Calculated Property
η	0.0000070	Pa×s	758.09	Calculated Property
η	0.0000058	Pa×s	779.06	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dibutyroxy-4-hydroxy butyrophenone.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.