Chemical Properties of 1-Naphthaleneacetic acid, 2,2-dichloroethyl ester

InChI

InChI=1S/C14H12Cl2O2/c15-13(16)9-18-14(17)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2

InChI Key

IGHHBAOWILUFHE-UHFFFAOYSA-N

Formula

C14H12Cl2O2

SMILES

O=C(Cc1cccc2ccccc12)OCC(Cl)Cl

Molecular Weight¹

283.15

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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	0.6136		Relay (1.0) Calculated Property
ΔfusH°	31.93	kJ/mol	Joback Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-4.49		Relay (1.0) Calculated Property
logPoct/wat	3.729		Crippen Calculated Property
McVol	196.820	ml/mol	McGowan Calculated Property
Pc	2351.92	kPa	Joback Calculated Property
Inp	[2467.00; 2467.00]
Inp	2467.00		NIST
Inp	2467.00		NIST
Tboil	644.29	K	Relay (1.0) Calculated Property
Tc	898.41	K	Relay (1.0) Calculated Property
Tfus	337.63	K	Relay (1.0) Calculated Property
Vc	0.689	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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	[480.78; 542.91]	J/mol×K	[703.20; 937.88]
Cp,gas	480.78	J/mol×K	703.20	Joback Calculated Property
Cp,gas	493.56	J/mol×K	742.31	Joback Calculated Property
Cp,gas	505.28	J/mol×K	781.43	Joback Calculated Property
Cp,gas	516.00	J/mol×K	820.54	Joback Calculated Property
Cp,gas	525.80	J/mol×K	859.65	Joback Calculated Property
Cp,gas	534.75	J/mol×K	898.77	Joback Calculated Property
Cp,gas	542.91	J/mol×K	937.88	Joback Calculated Property
η	[0.0001885; 0.0016421]	Pa×s	[406.35; 703.20]
η	0.0016421	Pa×s	406.35	Joback Calculated Property
η	0.0009413	Pa×s	455.83	Joback Calculated Property
η	0.0006017	Pa×s	505.30	Joback Calculated Property
η	0.0004165	Pa×s	554.78	Joback Calculated Property
η	0.0003063	Pa×s	604.25	Joback Calculated Property
η	0.0002359	Pa×s	653.73	Joback Calculated Property
η	0.0001885	Pa×s	703.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthaleneacetic acid, 2,2-dichloroethyl 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.
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