Chemical Properties of 4-Nitrobenzoic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C15H13NO4/c1-10-7-11(2)9-14(8-10)20-15(17)12-3-5-13(6-4-12)16(18)19/h3-9H,1-2H3

InChI Key

HSVPQSQPHHVITQ-UHFFFAOYSA-N

Formula

C15H13NO4

SMILES

Cc1cc(C)cc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1

Molecular Weight¹

271.27

• 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°	72.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-169.84	kJ/mol	Joback Calculated Property
ΔfusH°	35.67	kJ/mol	Joback Calculated Property
ΔvapH°	81.27	kJ/mol	Joback Calculated Property
log10WS	-5.16		Crippen Calculated Property
logPoct/wat	3.431		Crippen Calculated Property
McVol	199.550	ml/mol	McGowan Calculated Property
Pc	2543.05	kPa	Joback Calculated Property
Inp	[2214.00; 2214.00]
Inp	2214.00		NIST
Inp	2214.00		NIST
Tboil	839.03	K	Joback Calculated Property
Tc	1096.31	K	Joback Calculated Property
Tfus	564.98	K	Joback Calculated Property
Vc	0.765	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.10; 616.83]	J/mol×K	[839.03; 1096.31]
Cp,gas	561.10	J/mol×K	839.03	Joback Calculated Property
Cp,gas	573.34	J/mol×K	881.91	Joback Calculated Property
Cp,gas	584.34	J/mol×K	924.79	Joback Calculated Property
Cp,gas	594.14	J/mol×K	967.67	Joback Calculated Property
Cp,gas	602.79	J/mol×K	1010.55	Joback Calculated Property
Cp,gas	610.34	J/mol×K	1053.43	Joback Calculated Property
Cp,gas	616.83	J/mol×K	1096.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Nitrobenzoic acid, 3,5-dimethylphenyl 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.