Chemical Properties of Benzeneacetic acid, 4-nitro-, undec-2-en-1-yl ester

InChI

InChI=1S/C19H27NO4/c1-2-3-4-5-6-7-8-9-10-15-24-19(21)16-17-11-13-18(14-12-17)20(22)23/h9-14H,2-8,15-16H2,1H3/b10-9+

InChI Key

DDQCNHRGXYOSBK-MDZDMXLPSA-N

Formula

C19H27NO4

SMILES

CCCCCCCCC=CCOC(=O)Cc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

333.42

• 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	0.9261		Relay (1.0) Calculated Property
ΔfG°	93.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-450.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.97	kJ/mol	Joback Calculated Property
ΔvapH°	114.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-5.91		Relay (1.0) Calculated Property
logPoct/wat	4.987		Crippen Calculated Property
McVol	275.370	ml/mol	McGowan Calculated Property
Pc	1461.25	kPa	Joback Calculated Property
Inp	[2644.00; 2644.00]
Inp	2644.00		NIST
Inp	2644.00		NIST
Tboil	638.52	K	Relay (1.0) Calculated Property
Tc	882.44	K	Relay (1.0) Calculated Property
Tfus	299.34	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	[862.41; 936.72]	J/mol×K	[898.07; 1116.83]
Cp,gas	862.41	J/mol×K	898.07	Joback Calculated Property
Cp,gas	877.19	J/mol×K	934.53	Joback Calculated Property
Cp,gas	890.93	J/mol×K	970.99	Joback Calculated Property
Cp,gas	903.69	J/mol×K	1007.45	Joback Calculated Property
Cp,gas	915.53	J/mol×K	1043.91	Joback Calculated Property
Cp,gas	926.52	J/mol×K	1080.37	Joback Calculated Property
Cp,gas	936.72	J/mol×K	1116.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 4-nitro-, undec-2-en-1-yl ester.

Sources

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

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