Chemical Properties of 2-(2-propynylamino)-5-chloro-benzophenone

InChI

InChI=1S/C16H12ClNO/c1-2-10-18-15-9-8-13(17)11-14(15)16(19)12-6-4-3-5-7-12/h1,3-9,11,18H,10H2

InChI Key

TXZMSINCINMNAL-UHFFFAOYSA-N

Formula

C16H12ClNO

SMILES

C#CCNc1ccc(Cl)cc1C(=O)c1ccccc1

Molecular Weight¹

269.73

• 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°	461.01	kJ/mol	Joback Calculated Property
ΔfH°gas	293.60	kJ/mol	Joback Calculated Property
ΔfusH°	38.37	kJ/mol	Joback Calculated Property
ΔvapH°	74.51	kJ/mol	Joback Calculated Property
log10WS	-4.76		Crippen Calculated Property
logPoct/wat	3.616		Crippen Calculated Property
McVol	203.970	ml/mol	McGowan Calculated Property
Pc	2670.78	kPa	Joback Calculated Property
Inp	[2204.00; 2215.00]
Inp	2204.00		NIST
Inp	2215.00		NIST
Tboil	760.39	K	Joback Calculated Property
Tc	1013.60	K	Joback Calculated Property
Tfus	527.44	K	Joback Calculated Property
Vc	0.767	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[517.79; 580.75]	J/mol×K	[760.39; 1013.60]
Cp,gas	517.79	J/mol×K	760.39	Joback Calculated Property
Cp,gas	530.80	J/mol×K	802.59	Joback Calculated Property
Cp,gas	542.67	J/mol×K	844.79	Joback Calculated Property
Cp,gas	553.51	J/mol×K	886.99	Joback Calculated Property
Cp,gas	563.40	J/mol×K	929.19	Joback Calculated Property
Cp,gas	572.45	J/mol×K	971.39	Joback Calculated Property
Cp,gas	580.75	J/mol×K	1013.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-propynylamino)-5-chloro-benzophenone.

Sources

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

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