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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5610		Relay (1.0) Calculated Property
ΔfH°gas	-273.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.52	kJ/mol	Joback Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-3.71		Relay (1.0) 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	1697.00		NIST
Inp	1691.00		NIST
Tboil	546.30	K	Relay (1.0) Calculated Property
Tc	797.31	K	Relay (1.0) Calculated Property
Tfus	376.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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.

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

• Cheméo Relay (1.0)
• 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.