Chemical Properties of 1-Naphthaleneacetic acid, 2,3-dichlorophenyl ester

InChI

InChI=1S/C18H12Cl2O2/c19-15-9-4-10-16(18(15)20)22-17(21)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2

InChI Key

GAISTWFBFLMFJV-UHFFFAOYSA-N

Formula

C18H12Cl2O2

SMILES

O=C(Cc1cccc2ccccc12)Oc1cccc(Cl)c1Cl

Molecular Weight¹

331.19

• 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	0.6910		Relay (1.0) Calculated Property
ΔfusH°	39.07	kJ/mol	Joback Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
log10WS	-6.37		Relay (1.0) Calculated Property
logPoct/wat	5.295		Crippen Calculated Property
McVol	229.420	ml/mol	McGowan Calculated Property
Pc	2157.31	kPa	Joback Calculated Property
Inp	[1297.00; 1297.00]
Inp	1297.00		NIST
Inp	1297.00		NIST
Tboil	682.26	K	Relay (1.0) Calculated Property
Tc	1011.59	K	Relay (1.0) Calculated Property
Tfus	365.73	K	Relay (1.0) Calculated Property
Vc	0.827	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	[594.75; 651.14]	J/mol×K	[831.80; 1086.73]
Cp,gas	594.75	J/mol×K	831.80	Joback Calculated Property
Cp,gas	606.69	J/mol×K	874.29	Joback Calculated Property
Cp,gas	617.48	J/mol×K	916.78	Joback Calculated Property
Cp,gas	627.22	J/mol×K	959.27	Joback Calculated Property
Cp,gas	636.01	J/mol×K	1001.76	Joback Calculated Property
Cp,gas	643.95	J/mol×K	1044.24	Joback Calculated Property
Cp,gas	651.14	J/mol×K	1086.73	Joback Calculated Property
η	[0.0001349; 0.0007492]	Pa×s	[517.89; 831.80]
η	0.0007492	Pa×s	517.89	Joback Calculated Property
η	0.0004938	Pa×s	570.21	Joback Calculated Property
η	0.0003491	Pa×s	622.53	Joback Calculated Property
η	0.0002604	Pa×s	674.85	Joback Calculated Property
η	0.0002026	Pa×s	727.16	Joback Calculated Property
η	0.0001631	Pa×s	779.48	Joback Calculated Property
η	0.0001349	Pa×s	831.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthaleneacetic acid, 2,3-dichlorophenyl ester.

Sources

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

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