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

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6549		Relay (1.0) Calculated Property
ΔfG°	-268.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-742.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.50	kJ/mol	Joback Calculated Property
ΔvapH°	89.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	-1.39		Relay (1.0) 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	578.31	K	Relay (1.0) Calculated Property
Tc	847.77	K	Relay (1.0) Calculated Property
Tfus	471.23	K	Relay (1.0) Calculated Property
Vc	0.566	m3/kmol	Relay (1.0) 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

• 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.