Chemical Properties of Phthalic acid, 4-methyl-3-nitrobenzyl propyl ester

InChI

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

InChI Key

UALOPZGYKWKMFT-UHFFFAOYSA-N

Formula

C19H19NO6

SMILES

CCCOC(=O)c1ccccc1C(=O)OCc1ccc(C)c([N+](=O)[O-])c1

Molecular Weight¹

357.36

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9658		Relay (1.0) Calculated Property
ΔfG°	-127.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-574.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.82	kJ/mol	Joback Calculated Property
ΔvapH°	106.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-5.17		Relay (1.0) Calculated Property
logPoct/wat	3.827		Crippen Calculated Property
McVol	263.350	ml/mol	McGowan Calculated Property
Pc	1856.31	kPa	Joback Calculated Property
Inp	[3164.00; 3164.00]
Inp	3164.00		NIST
Inp	3164.00		NIST
Tboil	665.45	K	Relay (1.0) Calculated Property
Tc	955.46	K	Relay (1.0) Calculated Property
Tfus	303.33	K	Relay (1.0) Calculated Property
Vc	0.951	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[816.41; 853.44]	J/mol×K	[1006.84; 1253.08]
Cp,gas	816.41	J/mol×K	1006.84	Joback Calculated Property
Cp,gas	826.07	J/mol×K	1047.88	Joback Calculated Property
Cp,gas	834.29	J/mol×K	1088.92	Joback Calculated Property
Cp,gas	841.10	J/mol×K	1129.96	Joback Calculated Property
Cp,gas	846.54	J/mol×K	1171.00	Joback Calculated Property
Cp,gas	850.64	J/mol×K	1212.04	Joback Calculated Property
Cp,gas	853.44	J/mol×K	1253.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 4-methyl-3-nitrobenzyl propyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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