Chemical Properties of DL-ARTERENOL

InChI

InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2

InChI Key

SFLSHLFXELFNJZ-UHFFFAOYSA-N

Formula

C8H11NO3

SMILES

NCC(O)c1ccc(O)c(O)c1

Molecular Weight¹

169.18

Other Names

• 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (.+/-.)-
• (.+/-.)-Noradrenaline
• (.+/-.)-Norepinephrine
• dl-Norepinephrine
• Benzyl alcohol, «alpha»-(aminomethyl)-3,4-dihydroxy-, (.+/-.)-
• 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-
• (.+/-.)-Arterenol
• 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (dl)-
• 1-(3,4-Dihydroxy)phenyl-2-aminoethanol
• NSC 294898
• (±)-4-(2-amino-1-hydroxyethyl)pyrocatechol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[184.27; 413.55]	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			-4.60290e+01
Coefficient B			1.09590e+00
Coefficient C			-1.03232e-03
Coefficient D			3.96000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.27	J/mol×K	273.00	Calculated Property
Cp,gas	230.01	J/mol×K	353.78	Calculated Property
Cp,gas	267.75	J/mol×K	434.56	Calculated Property
Cp,gas	298.77	J/mol×K	515.33	Calculated Property
Cp,gas	324.30	J/mol×K	596.11	Calculated Property
Cp,gas	345.60	J/mol×K	676.89	Calculated Property
Cp,gas	363.92	J/mol×K	757.67	Calculated Property
Cp,gas	380.52	J/mol×K	838.44	Calculated Property
Cp,gas	396.65	J/mol×K	919.22	Calculated Property
Cp,gas	413.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to DL-ARTERENOL.

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.