Chemical Properties of Phthalic acid, butyl 4-nitrobenzyl ester

InChI

InChI=1S/C19H19NO6/c1-2-3-12-25-18(21)16-6-4-5-7-17(16)19(22)26-13-14-8-10-15(11-9-14)20(23)24/h4-11H,2-3,12-13H2,1H3

InChI Key

NEGOEFPHAOLWPW-UHFFFAOYSA-N

Formula

C19H19NO6

SMILES

CCCCOC(=O)c1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

357.36

• 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°	-117.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-485.73	kJ/mol	Joback Calculated Property
ΔfusH°	49.20	kJ/mol	Joback Calculated Property
ΔvapH°	98.67	kJ/mol	Joback Calculated Property
log10WS	-5.97		Crippen Calculated Property
logPoct/wat	3.909		Crippen Calculated Property
McVol	263.350	ml/mol	McGowan Calculated Property
Pc	1880.53	kPa	Joback Calculated Property
Inp	[3351.00; 3351.00]
Inp	3351.00		NIST
Inp	3351.00		NIST
Tboil	1001.86	K	Joback Calculated Property
Tc	1247.36	K	Joback Calculated Property
Tfus	669.70	K	Joback Calculated Property
Vc	1.014	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[818.17; 857.04]	J/mol×K	[1001.86; 1247.36]
Cp,gas	818.17	J/mol×K	1001.86	Joback Calculated Property
Cp,gas	828.01	J/mol×K	1042.78	Joback Calculated Property
Cp,gas	836.44	J/mol×K	1083.69	Joback Calculated Property
Cp,gas	843.51	J/mol×K	1124.61	Joback Calculated Property
Cp,gas	849.27	J/mol×K	1165.52	Joback Calculated Property
Cp,gas	853.77	J/mol×K	1206.44	Joback Calculated Property
Cp,gas	857.04	J/mol×K	1247.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, butyl 4-nitrobenzyl 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.