Chemical Properties of Carbromal (CAS 77-65-6)

InChI

InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)

InChI Key

OPNPQXLQERQBBV-UHFFFAOYSA-N

Formula

C7H13BrN2O2

SMILES

CCC(Br)(CC)C(=O)NC(N)=O

Molecular Weight¹

237.09

CAS

77-65-6

Other Names

• (2-Bromo-2-ethylbutyryl)urea
• («alpha»-Bromo-«alpha»-ethylbutyryl)carbamide
• («alpha»-Bromo-«alpha»-ethylbutyryl)urea
• («alpha»-Ethyl-«alpha»-bromobutyryl)urea
• («alpha»-Bromo-«alpha»-ethylbutyryl)carbamide
• («alpha»-Bromo-«alpha»-ethylbutyryl)urea
• («alpha»-Ethyl-«alpha»-bromobutyryl)urea
• 1-Bromo-ethyl-butyryl-urea
• 2-Brom-2-ethylbutyrylmocovina
• 2-bromo-N-carbamoyl-2-ethylbutanamide
• Adalin
• Addisomnol
• Adisomnol
• Bromacetocarbamide
• Bromadal
• Bromadel
• Bromdiethylacetylurea
• Bromodiacetylurea
• Bromodiethylacetylcarbamide
• Bromodiethylacetylurea
• Butanamide, N-(aminocarbonyl)-2-bromo-2-ethyl-
• Diacid
• Dormiturin
• Fydalin
• Hoggar
• Karbromal
• Kartryl
• N-(Aminocarbonyl)-2-bromo-2-ethylbutanamide
• NCI-C03805
• NSC 49191
• Nenesin
• Nyctal
• Parkosed
• Pelidorm
• Pianadalin
• Planadalin
• Tildin
• Uradal
• Urea, (2-bromo-2-ethylbutyryl)-

• 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°	-76.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-308.13	kJ/mol	Joback Calculated Property
ΔfusH°	25.25	kJ/mol	Joback Calculated Property
ΔvapH°	66.88	kJ/mol	Joback Calculated Property
log10WS	[-2.68; -2.68]
log10WS	-2.68		Aq. Sol...
log10WS	-2.68		Estimat...
logPoct/wat	1.135		Crippen Calculated Property
McVol	150.090	ml/mol	McGowan Calculated Property
Pc	3877.12	kPa	Joback Calculated Property
Inp	[1500.00; 1560.00]
Inp	1525.00		NIST
Inp	1500.00		NIST
Inp	1515.00		NIST
Inp	1515.00		NIST
Inp	1500.00		NIST
Inp	1515.00		NIST
Inp	1509.00		NIST
Inp	1513.00		NIST
Inp	1501.00		NIST
Inp	1501.00		NIST
Inp	Outlier 1560.00		NIST
Inp	1513.00		NIST
Inp	1513.00		NIST
Inp	1500.00		NIST
Inp	1515.00		NIST
Inp	Outlier 1560.00		NIST
Tboil	652.93	K	Joback Calculated Property
Tc	875.62	K	Joback Calculated Property
Tfus	466.65	K	Joback Calculated Property
Vc	0.554	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[369.01; 421.20]	J/mol×K	[652.93; 875.62]
Cp,gas	369.01	J/mol×K	652.93	Joback Calculated Property
Cp,gas	379.44	J/mol×K	690.04	Joback Calculated Property
Cp,gas	389.11	J/mol×K	727.16	Joback Calculated Property
Cp,gas	398.06	J/mol×K	764.27	Joback Calculated Property
Cp,gas	406.36	J/mol×K	801.39	Joback Calculated Property
Cp,gas	414.05	J/mol×K	838.50	Joback Calculated Property
Cp,gas	421.20	J/mol×K	875.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbromal.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.