Chemical Properties of Diazepam, M(HO-), acid hydrolyzed, acetylated

InChI

InChI=1S/C18H16ClNO4/c1-11(21)20(3)16-9-8-13(19)10-15(16)18(23)14-6-4-5-7-17(14)24-12(2)22/h4-10H,1-3H3

InChI Key

TYJLUIQZXUESTG-UHFFFAOYSA-N

Formula

C18H16ClNO4

SMILES

CC(=O)Oc1ccccc1C(=O)c1cc(Cl)ccc1N(C)C(C)=O

Molecular Weight¹

345.78

• 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°	-96.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-394.37	kJ/mol	Joback Calculated Property
ΔfusH°	42.49	kJ/mol	Joback Calculated Property
ΔvapH°	91.28	kJ/mol	Joback Calculated Property
log10WS	-4.53		Crippen Calculated Property
logPoct/wat	3.479		Crippen Calculated Property
McVol	249.760	ml/mol	McGowan Calculated Property
Pc	2073.65	kPa	Joback Calculated Property
Inp	[2600.00; 2600.00]
Inp	2600.00		NIST
Inp	2600.00		NIST
Tboil	913.44	K	Joback Calculated Property
Tc	1151.35	K	Joback Calculated Property
Tfus	617.43	K	Joback Calculated Property
Vc	0.930	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[711.26; 760.50]	J/mol×K	[913.44; 1151.35]
Cp,gas	711.26	J/mol×K	913.44	Joback Calculated Property
Cp,gas	722.20	J/mol×K	953.09	Joback Calculated Property
Cp,gas	731.98	J/mol×K	992.74	Joback Calculated Property
Cp,gas	740.65	J/mol×K	1032.39	Joback Calculated Property
Cp,gas	748.25	J/mol×K	1072.04	Joback Calculated Property
Cp,gas	754.85	J/mol×K	1111.70	Joback Calculated Property
Cp,gas	760.50	J/mol×K	1151.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diazepam, M(HO-), acid hydrolyzed, acetylated.

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.