Chemical Properties of Alprenolol desaminodihydroxy, acetylated

InChI

InChI=1S/C18H22O7/c1-5-6-15-9-16(24-13(3)20)7-8-18(15)23-11-17(25-14(4)21)10-22-12(2)19/h5,7-9,17H,1,6,10-11H2,2-4H3

InChI Key

UGLDVYYRPLVKDT-UHFFFAOYSA-N

Formula

C18H22O7

SMILES

C=CCc1cc(OC(C)=O)ccc1OCC(COC(C)=O)OC(C)=O

Molecular Weight¹

350.36

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.13	kJ/mol	Joback Calculated Property
log10WS	-3.03		Relay (1.0) Calculated Property
logPoct/wat	2.214		Crippen Calculated Property
McVol	264.610	ml/mol	McGowan Calculated Property
Inp	[2220.00; 2220.00]
Inp	2220.00		NIST
Inp	2220.00		NIST
Tfus	319.56	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[389.47; 838.21]	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			7.82730e+01
Coefficient B			1.27426e+00
Coefficient C			-4.83820e-04
Coefficient D			-3.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	389.47	J/mol×K	273.00	Calculated Property
Cp,gas	467.17	J/mol×K	353.78	Calculated Property
Cp,gas	538.14	J/mol×K	434.56	Calculated Property
Cp,gas	602.28	J/mol×K	515.33	Calculated Property
Cp,gas	659.49	J/mol×K	596.11	Calculated Property
Cp,gas	709.67	J/mol×K	676.89	Calculated Property
Cp,gas	752.73	J/mol×K	757.67	Calculated Property
Cp,gas	788.57	J/mol×K	838.44	Calculated Property
Cp,gas	817.10	J/mol×K	919.22	Calculated Property
Cp,gas	838.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004858; 0.0000464]	Pa×s	[476.54; 732.80]	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			-1.43450e+01
Coefficient B			3.20013e+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.			476.54
Temperature range, max.			732.80
η	0.0004858	Pa×s	476.54	Calculated Property
η	0.0003327	Pa×s	505.01	Calculated Property
η	0.0002372	Pa×s	533.49	Calculated Property
η	0.0001751	Pa×s	561.96	Calculated Property
η	0.0001330	Pa×s	590.43	Calculated Property
η	0.0001037	Pa×s	618.91	Calculated Property
η	0.0000826	Pa×s	647.38	Calculated Property
η	0.0000671	Pa×s	675.85	Calculated Property
η	0.0000554	Pa×s	704.32	Calculated Property
η	0.0000464	Pa×s	732.80	Calculated Property

Similar Compounds

Find more compounds similar to Alprenolol desaminodihydroxy, acetylated.

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.