Chemical Properties of 1-Naphthaleneacetic acid, dec-2-yl ester

InChI

InChI=1S/C22H30O2/c1-3-4-5-6-7-8-12-18(2)24-22(23)17-20-15-11-14-19-13-9-10-16-21(19)20/h9-11,13-16,18H,3-8,12,17H2,1-2H3

InChI Key

DYGPXJXWLAPOJP-UHFFFAOYSA-N

Formula

C22H30O2

SMILES

CCCCCCCCC(C)OC(=O)Cc1cccc2ccccc12

Molecular Weight¹

326.47

• 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	0.8682		Relay (1.0) Calculated Property
ΔfusH°	44.25	kJ/mol	Joback Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-6.03		Relay (1.0) Calculated Property
logPoct/wat	6.065		Crippen Calculated Property
McVol	285.060	ml/mol	McGowan Calculated Property
Pc	1316.56	kPa	Joback Calculated Property
Inp	[1340.00; 1340.00]
Inp	1340.00		NIST
Inp	1340.00		NIST
Tboil	661.37	K	Relay (1.0) Calculated Property
Tc	899.88	K	Relay (1.0) Calculated Property
Tfus	304.68	K	Relay (1.0) Calculated Property
Vc	1.059	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	[867.76; 956.74]	J/mol×K	[811.38; 1017.18]
Cp,gas	867.76	J/mol×K	811.38	Joback Calculated Property
Cp,gas	885.22	J/mol×K	845.68	Joback Calculated Property
Cp,gas	901.55	J/mol×K	879.98	Joback Calculated Property
Cp,gas	916.79	J/mol×K	914.28	Joback Calculated Property
Cp,gas	931.03	J/mol×K	948.58	Joback Calculated Property
Cp,gas	944.32	J/mol×K	982.88	Joback Calculated Property
Cp,gas	956.74	J/mol×K	1017.18	Joback Calculated Property
η	[0.0000890; 0.0012445]	Pa×s	[436.67; 811.38]
η	0.0012445	Pa×s	436.67	Joback Calculated Property
η	0.0006090	Pa×s	499.12	Joback Calculated Property
η	0.0003494	Pa×s	561.57	Joback Calculated Property
η	0.0002240	Pa×s	624.02	Joback Calculated Property
η	0.0001557	Pa×s	686.48	Joback Calculated Property
η	0.0001150	Pa×s	748.93	Joback Calculated Property
η	0.0000890	Pa×s	811.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthaleneacetic acid, dec-2-yl ester.

Sources

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

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