Chemical Properties of Bromobutide-debromo

InChI

InChI=1S/C15H23NO/c1-14(2,3)11-13(17)16-15(4,5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,16,17)

InChI Key

XYWRDHBULARJNY-UHFFFAOYSA-N

Formula

C15H23NO

SMILES

CC(C)(C)CC(=O)NC(C)(C)c1ccccc1

Molecular Weight¹

233.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	153.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-193.01	kJ/mol	Joback Calculated Property
ΔfusH°	20.52	kJ/mol	Joback Calculated Property
ΔvapH°	61.85	kJ/mol	Joback Calculated Property
log10WS	-4.10		Crippen Calculated Property
logPoct/wat	3.474		Crippen Calculated Property
McVol	210.000	ml/mol	McGowan Calculated Property
Pc	2041.91	kPa	Joback Calculated Property
Inp	[1691.00; 1697.00]
Inp	1691.00		NIST
Inp	1691.00		NIST
Inp	1697.00		NIST
Tboil	666.86	K	Joback Calculated Property
Tc	888.19	K	Joback Calculated Property
Tfus	392.66	K	Joback Calculated Property
Vc	0.786	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[580.73; 670.55]	J/mol×K	[666.86; 888.19]
Cp,gas	580.73	J/mol×K	666.86	Joback Calculated Property
Cp,gas	598.64	J/mol×K	703.75	Joback Calculated Property
Cp,gas	615.25	J/mol×K	740.64	Joback Calculated Property
Cp,gas	630.64	J/mol×K	777.52	Joback Calculated Property
Cp,gas	644.91	J/mol×K	814.41	Joback Calculated Property
Cp,gas	658.18	J/mol×K	851.30	Joback Calculated Property
Cp,gas	670.55	J/mol×K	888.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bromobutide-debromo.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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