Chemical Properties of Terbutaline (CAS 23031-25-6)

InChI

InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3

InChI Key

XWTYSIMOBUGWOL-UHFFFAOYSA-N

Formula

C12H19NO3

SMILES

CC(C)(C)NCC(O)c1cc(O)cc(O)c1

Molecular Weight¹

225.29

CAS

23031-25-6

• 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	[263.48; 622.30]	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			-8.18390e+01
Coefficient B			1.61606e+00
Coefficient C			-1.42692e-03
Coefficient D			5.15000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.48	J/mol×K	273.00	Calculated Property
Cp,gas	334.10	J/mol×K	353.78	Calculated Property
Cp,gas	393.23	J/mol×K	434.56	Calculated Property
Cp,gas	442.51	J/mol×K	515.33	Calculated Property
Cp,gas	483.55	J/mol×K	596.11	Calculated Property
Cp,gas	517.99	J/mol×K	676.89	Calculated Property
Cp,gas	547.46	J/mol×K	757.67	Calculated Property
Cp,gas	573.58	J/mol×K	838.44	Calculated Property
Cp,gas	597.98	J/mol×K	919.22	Calculated Property
Cp,gas	622.30	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Terbutaline.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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