Chemical Properties of Norbutylone, Ac

InChI

InChI=1S/C13H15NO4/c1-3-10(14-8(2)15)13(16)9-4-5-11-12(6-9)18-7-17-11/h4-6,10H,3,7H2,1-2H3,(H,14,15)

InChI Key

QRLOIKIAVMPXIP-UHFFFAOYSA-N

Formula

C13H15NO4

SMILES

CCC(NC(C)=O)C(=O)c1ccc2c(c1)OCO2

Molecular Weight¹

249.26

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.48	kJ/mol	Joback Calculated Property
log10WS	-2.76		Relay (1.0) Calculated Property
logPoct/wat	1.513		Crippen Calculated Property
McVol	184.270	ml/mol	McGowan Calculated Property
Inp	[2200.00; 2200.00]
Inp	2200.00		NIST
Inp	2200.00		NIST
Tboil	610.96	K	Relay (1.0) Calculated Property

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 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	[255.84; 592.99]	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			-2.39490e+01
Coefficient B			1.23844e+00
Coefficient C			-8.42720e-04
Coefficient D			2.21220e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.84	J/mol×K	273.00	Calculated Property
Cp,gas	318.51	J/mol×K	353.78	Calculated Property
Cp,gas	373.24	J/mol×K	434.56	Calculated Property
Cp,gas	420.74	J/mol×K	515.33	Calculated Property
Cp,gas	461.70	J/mol×K	596.11	Calculated Property
Cp,gas	496.83	J/mol×K	676.89	Calculated Property
Cp,gas	526.82	J/mol×K	757.67	Calculated Property
Cp,gas	552.38	J/mol×K	838.44	Calculated Property
Cp,gas	574.20	J/mol×K	919.22	Calculated Property
Cp,gas	592.99	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Norbutylone, Ac.

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.
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