Chemical Properties of 1-Naphthaleneacetic acid, 8-chlorooctyl ester

InChI

InChI=1S/C20H25ClO2/c21-14-7-3-1-2-4-8-15-23-20(22)16-18-12-9-11-17-10-5-6-13-19(17)18/h5-6,9-13H,1-4,7-8,14-16H2

InChI Key

IIAVWHJSSYHUCD-UHFFFAOYSA-N

Formula

C20H25ClO2

SMILES

O=C(Cc1cccc2ccccc12)OCCCCCCCCCl

Molecular Weight¹

332.86

• 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	0.8844		Relay (1.0) Calculated Property
ΔfusH°	46.79	kJ/mol	Joback Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-6.07		Relay (1.0) Calculated Property
logPoct/wat	5.505		Crippen Calculated Property
McVol	269.120	ml/mol	McGowan Calculated Property
Pc	1469.10	kPa	Joback Calculated Property
Inp	[1469.00; 1469.00]
Inp	1469.00		NIST
Inp	1469.00		NIST
Tboil	676.27	K	Relay (1.0) Calculated Property
Tc	925.65	K	Relay (1.0) Calculated Property
Tfus	315.40	K	Relay (1.0) Calculated Property
Vc	0.982	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	[779.71; 859.17]	J/mol×K	[803.49; 1012.92]
Cp,gas	779.71	J/mol×K	803.49	Joback Calculated Property
Cp,gas	795.39	J/mol×K	838.39	Joback Calculated Property
Cp,gas	810.00	J/mol×K	873.30	Joback Calculated Property
Cp,gas	823.62	J/mol×K	908.20	Joback Calculated Property
Cp,gas	836.31	J/mol×K	943.11	Joback Calculated Property
Cp,gas	848.14	J/mol×K	978.01	Joback Calculated Property
Cp,gas	859.17	J/mol×K	1012.92	Joback Calculated Property
η	[0.0001108; 0.0010814]	Pa×s	[459.05; 803.49]
η	0.0010814	Pa×s	459.05	Joback Calculated Property
η	0.0005991	Pa×s	516.46	Joback Calculated Property
η	0.0003735	Pa×s	573.86	Joback Calculated Property
η	0.0002537	Pa×s	631.27	Joback Calculated Property
η	0.0001839	Pa×s	688.68	Joback Calculated Property
η	0.0001400	Pa×s	746.08	Joback Calculated Property
η	0.0001108	Pa×s	803.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthaleneacetic acid, 8-chlorooctyl ester.

Sources

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

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