Chemical Properties of Pyrithyldione (CAS 77-04-3)

InChI

InChI=1S/C9H13NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h5-6H,3-4H2,1-2H3,(H,10,12)

InChI Key

NZASCBIBXNPDMH-UHFFFAOYSA-N

Formula

C9H13NO2

SMILES

CCC1(CC)C(=O)C=CNC1=O

Molecular Weight¹

167.21

CAS

77-04-3

Other Names

• 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-
• Benedorm
• Didropyridine
• Dihydroprylone
• Nu 903
• Persedon
• Persidon
• Presidon
• Prezidon
• Pyridion
• Pyridione
• Pyrithyldion
• Tetridin
• Tetridine
• 3,3-Diethyl-2,4(1H,3H)-pyridinedione
• 3,3-Diethyl-2,4-dioxotetrahydropyridine
• 3,3-Diethylpyridine-2,4(1H,3H)-dione
• 3,3-Diethyl-2,4-pyridinedione
• 2,4-Dioxo-3,3-diethyltetrahydropyridine
• 3,3-Diethyl-1H-pyridine-2,4-dione
• NSC 89733

• 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_boilr : Boiling point at reduced pressure (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°	-83.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-339.34	kJ/mol	Joback Calculated Property
ΔfusH°	14.44	kJ/mol	Joback Calculated Property
ΔvapH°	50.45	kJ/mol	Joback Calculated Property
log10WS	-1.84		Crippen Calculated Property
logPoct/wat	1.005		Crippen Calculated Property
McVol	135.630	ml/mol	McGowan Calculated Property
Pc	3456.14	kPa	Joback Calculated Property
Inp	[1510.00; 1557.00]
Inp	1520.00		NIST
Inp	1530.00		NIST
Inp	1510.00		NIST
Inp	1557.00		NIST
Inp	1520.00		NIST
Tboil	608.46	K	Joback Calculated Property
Tc	856.42	K	Joback Calculated Property
Tfus	464.70	K	Joback Calculated Property
Vc	0.507	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.82; 432.53]	J/mol×K	[608.46; 856.42]
Cp,gas	345.82	J/mol×K	608.46	Joback Calculated Property
Cp,gas	362.01	J/mol×K	649.79	Joback Calculated Property
Cp,gas	377.42	J/mol×K	691.11	Joback Calculated Property
Cp,gas	392.12	J/mol×K	732.44	Joback Calculated Property
Cp,gas	406.16	J/mol×K	773.77	Joback Calculated Property
Cp,gas	419.61	J/mol×K	815.10	Joback Calculated Property
Cp,gas	432.53	J/mol×K	856.42	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Pyrithyldione.

Sources

• 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.