Chemical Properties of Phenytoin, M(HO-), AC

InChI

InChI=1S/C17H14N2O4/c1-11(20)23-14-9-7-13(8-10-14)17(12-5-3-2-4-6-12)15(21)18-16(22)19-17/h2-10H,1H3,(H2,18,19,21,22)

InChI Key

OHIPXMKWHVEHCR-UHFFFAOYSA-N

Formula

C17H14N2O4

SMILES

CC(=O)Oc1ccc(C2(c3ccccc3)NC(=O)NC2=O)cc1

Molecular Weight¹

310.30

• 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°	34.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-301.48	kJ/mol	Joback Calculated Property
ΔfusH°	36.10	kJ/mol	Joback Calculated Property
ΔvapH°	88.92	kJ/mol	Joback Calculated Property
log10WS	-3.69		Crippen Calculated Property
logPoct/wat	1.695		Crippen Calculated Property
McVol	222.550	ml/mol	McGowan Calculated Property
Pc	3045.68	kPa	Joback Calculated Property
Inp	[2775.00; 2775.00]
Inp	2775.00		NIST
Inp	2775.00		NIST
Inp	2775.00		NIST
Tboil	971.25	K	Joback Calculated Property
Tc	1256.88	K	Joback Calculated Property
Tfus	800.17	K	Joback Calculated Property
Vc	0.823	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[705.38; 789.45]	J/mol×K	[971.25; 1256.88]
Cp,gas	705.38	J/mol×K	971.25	Joback Calculated Property
Cp,gas	721.33	J/mol×K	1018.85	Joback Calculated Property
Cp,gas	736.33	J/mol×K	1066.46	Joback Calculated Property
Cp,gas	750.52	J/mol×K	1114.06	Joback Calculated Property
Cp,gas	764.01	J/mol×K	1161.67	Joback Calculated Property
Cp,gas	776.95	J/mol×K	1209.27	Joback Calculated Property
Cp,gas	789.45	J/mol×K	1256.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenytoin, M(HO-), AC.

Sources

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

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