Chemical Properties of Carbonic acid, 2,2,2-trichloroethyl 4-nitrophenyl ester

InChI

InChI=1S/C9H6Cl3NO5/c10-9(11,12)5-17-8(14)18-7-3-1-6(2-4-7)13(15)16/h1-4H,5H2

InChI Key

SDHPSMBWDAIAHJ-UHFFFAOYSA-N

Formula

C9H6Cl3NO5

SMILES

O=C(OCC(Cl)(Cl)Cl)Oc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

314.51

• 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°	-208.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-447.78	kJ/mol	Joback Calculated Property
ΔfusH°	33.23	kJ/mol	Joback Calculated Property
ΔvapH°	78.58	kJ/mol	Joback Calculated Property
log10WS	-4.48		Crippen Calculated Property
logPoct/wat	3.480		Crippen Calculated Property
McVol	181.360	ml/mol	McGowan Calculated Property
Pc	3028.94	kPa	Joback Calculated Property
Inp	[2086.00; 2086.00]
Inp	2086.00		NIST
Inp	2086.00		NIST
Tboil	796.59	K	Joback Calculated Property
Tc	1055.15	K	Joback Calculated Property
Tfus	560.31	K	Joback Calculated Property
Vc	0.692	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.74; 465.50]	J/mol×K	[796.59; 1055.15]
Cp,gas	430.74	J/mol×K	796.59	Joback Calculated Property
Cp,gas	438.77	J/mol×K	839.68	Joback Calculated Property
Cp,gas	445.84	J/mol×K	882.78	Joback Calculated Property
Cp,gas	452.01	J/mol×K	925.87	Joback Calculated Property
Cp,gas	457.30	J/mol×K	968.96	Joback Calculated Property
Cp,gas	461.79	J/mol×K	1012.06	Joback Calculated Property
Cp,gas	465.50	J/mol×K	1055.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2,2,2-trichloroethyl 4-nitrophenyl ester.

Sources

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

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