Chemical Properties of 2-Ethylbutyric acid, 2-nitrophenyl ester

InChI

InChI=1S/C12H15NO4/c1-3-9(4-2)12(14)17-11-8-6-5-7-10(11)13(15)16/h5-9H,3-4H2,1-2H3

InChI Key

UCLLPEPMLBPFEX-UHFFFAOYSA-N

Formula

C12H15NO4

SMILES

CCC(CC)C(=O)Oc1ccccc1[N+](=O)[O-]

Molecular Weight¹

237.25

• 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°	-47.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-326.79	kJ/mol	Joback Calculated Property
ΔfusH°	31.11	kJ/mol	Joback Calculated Property
ΔvapH°	70.60	kJ/mol	Joback Calculated Property
log10WS	-3.87		Crippen Calculated Property
logPoct/wat	2.936		Crippen Calculated Property
McVol	181.040	ml/mol	McGowan Calculated Property
Pc	2530.27	kPa	Joback Calculated Property
Inp	[1735.00; 1735.00]
Inp	1735.00		NIST
Inp	1735.00		NIST
Tboil	733.31	K	Joback Calculated Property
Tc	966.01	K	Joback Calculated Property
Tfus	464.71	K	Joback Calculated Property
Vc	0.700	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[498.12; 564.27]	J/mol×K	[733.31; 966.01]
Cp,gas	498.12	J/mol×K	733.31	Joback Calculated Property
Cp,gas	511.61	J/mol×K	772.09	Joback Calculated Property
Cp,gas	524.08	J/mol×K	810.88	Joback Calculated Property
Cp,gas	535.55	J/mol×K	849.66	Joback Calculated Property
Cp,gas	546.05	J/mol×K	888.45	Joback Calculated Property
Cp,gas	555.62	J/mol×K	927.23	Joback Calculated Property
Cp,gas	564.27	J/mol×K	966.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 2-nitrophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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