Chemical Properties of Butobarbital M (oxo)

InChI

InChI=1S/C10H14N2O4/c1-3-6(13)5-10(4-2)7(14)11-9(16)12-8(10)15/h3-5H2,1-2H3,(H2,11,12,14,15,16)

InChI Key

RNMSSWRCPMMUDI-UHFFFAOYSA-N

Formula

C10H14N2O4

SMILES

CCC(=O)CC1(CC)C(=O)NC(=O)NC1=O

Molecular Weight¹

226.23

• 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°	-268.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-630.23	kJ/mol	Joback Calculated Property
ΔfusH°	26.50	kJ/mol	Joback Calculated Property
ΔvapH°	70.13	kJ/mol	Joback Calculated Property
log10WS	-1.62		Crippen Calculated Property
logPoct/wat	0.118		Crippen Calculated Property
McVol	167.140	ml/mol	McGowan Calculated Property
Pc	3419.86	kPa	Joback Calculated Property
Inp	[1880.00; 1880.00]
Inp	1880.00		NIST
Inp	1880.00		NIST
Tboil	802.42	K	Joback Calculated Property
Tc	1059.76	K	Joback Calculated Property
Tfus	698.39	K	Joback Calculated Property
Vc	0.627	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[509.34; 592.85]	J/mol×K	[802.42; 1059.76]
Cp,gas	509.34	J/mol×K	802.42	Joback Calculated Property
Cp,gas	525.62	J/mol×K	845.31	Joback Calculated Property
Cp,gas	540.96	J/mol×K	888.20	Joback Calculated Property
Cp,gas	555.35	J/mol×K	931.09	Joback Calculated Property
Cp,gas	568.80	J/mol×K	973.98	Joback Calculated Property
Cp,gas	581.30	J/mol×K	1016.87	Joback Calculated Property
Cp,gas	592.85	J/mol×K	1059.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butobarbital M (oxo).

Sources

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

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