Chemical Properties of Phthalic acid, 2-(4-nitrophenoxy)ethyl propyl ester

InChI

InChI=1S/C19H19NO7/c1-2-11-26-18(21)16-5-3-4-6-17(16)19(22)27-13-12-25-15-9-7-14(8-10-15)20(23)24/h3-10H,2,11-13H2,1H3

InChI Key

MCZVCEYLIPOISG-UHFFFAOYSA-N

Formula

C19H19NO7

SMILES

CCCOC(=O)c1ccccc1C(=O)OCCOc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

373.36

• 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	1.0396		Relay (1.0) Calculated Property
ΔfG°	-222.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-702.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.39	kJ/mol	Joback Calculated Property
ΔvapH°	118.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-5.17		Relay (1.0) Calculated Property
logPoct/wat	3.397		Crippen Calculated Property
McVol	269.220	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[3327.00; 3327.00]
Inp	3327.00		NIST
Inp	3327.00		NIST
Tboil	690.89	K	Relay (1.0) Calculated Property
Tc	958.03	K	Relay (1.0) Calculated Property
Tfus	335.15	K	Relay (1.0) Calculated Property
Vc	0.978	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[842.07; 870.35]	J/mol×K	[1024.28; 1269.52]
Cp,gas	842.07	J/mol×K	1024.28	Joback Calculated Property
Cp,gas	850.68	J/mol×K	1065.15	Joback Calculated Property
Cp,gas	857.71	J/mol×K	1106.03	Joback Calculated Property
Cp,gas	863.16	J/mol×K	1146.90	Joback Calculated Property
Cp,gas	867.07	J/mol×K	1187.77	Joback Calculated Property
Cp,gas	869.46	J/mol×K	1228.64	Joback Calculated Property
Cp,gas	870.35	J/mol×K	1269.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(4-nitrophenoxy)ethyl propyl ester.

Sources

• Cheméo Relay (1.0)
• 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.