Chemical Properties of Nonoic acid, 4-nitrophenyl ester

InChI

InChI=1S/C15H21NO4/c1-2-3-4-5-6-7-8-15(17)20-14-11-9-13(10-12-14)16(18)19/h9-12H,2-8H2,1H3

InChI Key

TZQXKOGMKYABTL-UHFFFAOYSA-N

Formula

C15H21NO4

SMILES

CCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

279.34

Other Names

• Nonoic acid, 4-nitrophenyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-438.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.41	kJ/mol	Joback Calculated Property
ΔvapH°	96.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-5.29		Relay (1.0) Calculated Property
logPoct/wat	4.251		Crippen Calculated Property
McVol	223.310	ml/mol	McGowan Calculated Property
Pc	1916.94	kPa	Joback Calculated Property
Inp	[2239.00; 2239.00]
Inp	2239.00		NIST
Inp	2239.00		NIST
Tboil	603.22	K	Relay (1.0) Calculated Property
Tc	847.87	K	Relay (1.0) Calculated Property
Tfus	333.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.01; 730.73]	J/mol×K	[802.39; 1021.16]
Cp,gas	660.01	J/mol×K	802.39	Joback Calculated Property
Cp,gas	674.29	J/mol×K	838.85	Joback Calculated Property
Cp,gas	687.53	J/mol×K	875.31	Joback Calculated Property
Cp,gas	699.75	J/mol×K	911.78	Joback Calculated Property
Cp,gas	711.01	J/mol×K	948.24	Joback Calculated Property
Cp,gas	721.32	J/mol×K	984.70	Joback Calculated Property
Cp,gas	730.73	J/mol×K	1021.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nonoic acid, 4-nitrophenyl 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.