Chemical Properties of Acetic acid, (2-chloro-5-nitrophenyl)methyl ester (CAS 303965-18-6)

InChI

InChI=1S/C9H8ClNO4/c1-6(12)15-5-7-4-8(11(13)14)2-3-9(7)10/h2-4H,5H2,1H3

InChI Key

SESOLLOQXFQPEM-UHFFFAOYSA-N

Formula

C9H8ClNO4

SMILES

CC(=O)OCc1cc([N+](=O)[O-])ccc1Cl

Molecular Weight¹

229.62

CAS

303965-18-6

• 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°	-92.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-286.80	kJ/mol	Joback Calculated Property
ΔfusH°	30.67	kJ/mol	Joback Calculated Property
ΔvapH°	69.36	kJ/mol	Joback Calculated Property
log10WS	-3.39		Crippen Calculated Property
logPoct/wat	2.311		Crippen Calculated Property
McVol	151.010	ml/mol	McGowan Calculated Property
Pc	3228.31	kPa	Joback Calculated Property
Inp	[1739.00; 1739.00]
Inp	1739.00		NIST
Inp	1739.00		NIST
Tboil	707.52	K	Joback Calculated Property
Tc	953.17	K	Joback Calculated Property
Tfus	488.34	K	Joback Calculated Property
Vc	0.587	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[365.58; 414.88]	J/mol×K	[707.52; 953.17]
Cp,gas	365.58	J/mol×K	707.52	Joback Calculated Property
Cp,gas	375.84	J/mol×K	748.46	Joback Calculated Property
Cp,gas	385.27	J/mol×K	789.40	Joback Calculated Property
Cp,gas	393.87	J/mol×K	830.35	Joback Calculated Property
Cp,gas	401.66	J/mol×K	871.29	Joback Calculated Property
Cp,gas	408.66	J/mol×K	912.23	Joback Calculated Property
Cp,gas	414.88	J/mol×K	953.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, (2-chloro-5-nitrophenyl)methyl ester.

Sources

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

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