Chemical Properties of Cycloheptyl-5-spirobarbituric acid

InChI

InChI=1S/C10H14N2O3/c13-7-10(5-3-1-2-4-6-10)8(14)12-9(15)11-7/h1-6H2,(H2,11,12,13,14,15)

InChI Key

RSWPVXFVQHCCCI-UHFFFAOYSA-N

Formula

C10H14N2O3

SMILES

O=C1NC(=O)C2(CCCCCC2)C(=O)N1

Molecular Weight¹

210.23

• 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).
• 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°	-107.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-442.99	kJ/mol	Joback Calculated Property
ΔfusH°	15.67	kJ/mol	Joback Calculated Property
ΔvapH°	64.13	kJ/mol	Joback Calculated Property
log10WS	[-3.17; -3.17]
log10WS	-3.17		Aq. Sol...
log10WS	-3.17		Estimat...
logPoct/wat	0.693		Crippen Calculated Property
McVol	154.710	ml/mol	McGowan Calculated Property
Pc	4244.08	kPa	Joback Calculated Property
Tboil	772.77	K	Joback Calculated Property
Tc	1069.58	K	Joback Calculated Property
Tfus	660.08	K	Joback Calculated Property
Vc	0.555	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[484.05; 585.18]	J/mol×K	[772.77; 1069.58]
Cp,gas	484.05	J/mol×K	772.77	Joback Calculated Property
Cp,gas	504.43	J/mol×K	822.24	Joback Calculated Property
Cp,gas	523.35	J/mol×K	871.71	Joback Calculated Property
Cp,gas	540.85	J/mol×K	921.18	Joback Calculated Property
Cp,gas	556.97	J/mol×K	970.65	Joback Calculated Property
Cp,gas	571.73	J/mol×K	1020.12	Joback Calculated Property
Cp,gas	585.18	J/mol×K	1069.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cycloheptyl-5-spirobarbituric acid.

Sources

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

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.