Chemical Properties of Salicylic acid, n-octyl ester

InChI

InChI=1S/C15H22O3/c1-2-3-4-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16/h7-8,10-11,16H,2-6,9,12H2,1H3

InChI Key

WCJLCOAEJIHPCW-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

CCCCCCCCOC(=O)c1ccccc1O

Molecular Weight¹

250.34

Other Names

• Benzoic acid, 2-hydroxy-, octyl ester
• Salicylic acid, octyl ester
• octyl salicylate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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.
• I : 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	0.8871		Relay (1.0) Calculated Property
ΔfH°gas	-608.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.80	kJ/mol	Joback Calculated Property
ΔvapH°	85.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-4.85		Relay (1.0) Calculated Property
logPoct/wat	3.910		Crippen Calculated Property
McVol	211.760	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[1895.00; 1895.00]
Inp	1895.00		NIST
Inp	1895.00		NIST
Inp	1895.00		NIST
Inp	1895.00		NIST
I	2435.00		NIST
Tboil	583.38	K	Relay (1.0) Calculated Property
Tc	812.04	K	Relay (1.0) Calculated Property
Tfus	276.51	K	Relay (1.0) Calculated Property
Vc	0.783	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.96; 678.82]	J/mol×K	[708.32; 913.07]
Cp,gas	599.96	J/mol×K	708.32	Joback Calculated Property
Cp,gas	615.14	J/mol×K	742.44	Joback Calculated Property
Cp,gas	629.42	J/mol×K	776.57	Joback Calculated Property
Cp,gas	642.86	J/mol×K	810.69	Joback Calculated Property
Cp,gas	655.54	J/mol×K	844.82	Joback Calculated Property
Cp,gas	667.50	J/mol×K	878.94	Joback Calculated Property
Cp,gas	678.82	J/mol×K	913.07	Joback Calculated Property
η	[0.0000104; 0.0005816]	Pa×s	[439.28; 708.32]
η	0.0005816	Pa×s	439.28	Joback Calculated Property
η	0.0002178	Pa×s	484.12	Joback Calculated Property
η	0.0000963	Pa×s	528.96	Joback Calculated Property
η	0.0000484	Pa×s	573.80	Joback Calculated Property
η	0.0000269	Pa×s	618.64	Joback Calculated Property
η	0.0000162	Pa×s	663.48	Joback Calculated Property
η	0.0000104	Pa×s	708.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Salicylic acid, n-octyl ester.

Sources

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

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