Chemical Properties of Benzoic acid, 3,5-dinitro, 2-phenylethyl ester

InChI

InChI=1S/C15H12N2O6/c18-15(23-7-6-11-4-2-1-3-5-11)12-8-13(16(19)20)10-14(9-12)17(21)22/h1-5,8-10H,6-7H2

InChI Key

YGOZXWGXCINERK-UHFFFAOYSA-N

Formula

C15H12N2O6

SMILES

O=C(OCCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

Molecular Weight¹

316.27

• 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°	118.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-169.13	kJ/mol	Joback Calculated Property
ΔfusH°	47.42	kJ/mol	Joback Calculated Property
ΔvapH°	97.20	kJ/mol	Joback Calculated Property
log10WS	-5.05		Crippen Calculated Property
logPoct/wat	2.902		Crippen Calculated Property
McVol	216.970	ml/mol	McGowan Calculated Property
Pc	2613.74	kPa	Joback Calculated Property
Inp	[2383.00; 2460.00]
Inp	2383.00		NIST
Inp	2399.00		NIST
Inp	2399.00		NIST
Inp	2420.00		NIST
Inp	2439.00		NIST
Inp	2460.00		NIST
Inp	2443.00		NIST
Inp	2460.00		NIST
Inp	2383.00		NIST
Inp	2460.00		NIST
Inp	2443.00		NIST
Tboil	985.89	K	Joback Calculated Property
Tc	1256.69	K	Joback Calculated Property
Tfus	696.07	K	Joback Calculated Property
Vc	0.848	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[647.20; 682.32]	J/mol×K	[985.89; 1256.69]
Cp,gas	647.20	J/mol×K	985.89	Joback Calculated Property
Cp,gas	655.86	J/mol×K	1031.02	Joback Calculated Property
Cp,gas	663.29	J/mol×K	1076.16	Joback Calculated Property
Cp,gas	669.57	J/mol×K	1121.29	Joback Calculated Property
Cp,gas	674.78	J/mol×K	1166.42	Joback Calculated Property
Cp,gas	679.01	J/mol×K	1211.56	Joback Calculated Property
Cp,gas	682.32	J/mol×K	1256.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3,5-dinitro, 2-phenylethyl ester.

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.