Chemical Properties of Benzoic acid, 2-hydroxy-, heptyl ester

InChI

InChI=1S/C14H20O3/c1-2-3-4-5-8-11-17-14(16)12-9-6-7-10-13(12)15/h6-7,9-10,15H,2-5,8,11H2,1H3

InChI Key

UGHVXXDQKXLCID-UHFFFAOYSA-N

Formula

C14H20O3

SMILES

CCCCCCCOC(=O)c1ccccc1O

Molecular Weight¹

236.31

Other Names

• n-Heptyl salicylate
• heptyl salicylate
• heptyl 2-hydroxybenzoate

• 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	0.8480		Relay (1.0) Calculated Property
ΔfH°gas	-587.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.21	kJ/mol	Joback Calculated Property
ΔvapH°	81.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-4.51		Relay (1.0) Calculated Property
logPoct/wat	3.519		Crippen Calculated Property
McVol	197.670	ml/mol	McGowan Calculated Property
Pc	2318.07	kPa	Joback Calculated Property
Inp	[1785.00; 1790.00]
Inp	1785.00		NIST
Inp	1785.00		NIST
Inp	1789.00		NIST
Inp	1790.00		NIST
Inp	1790.00		NIST
I	[2332.00; 2332.00]
I	2332.00		NIST
I	2332.00		NIST
Tboil	575.78	K	Relay (1.0) Calculated Property
Tc	802.29	K	Relay (1.0) Calculated Property
Tfus	271.01	K	Relay (1.0) Calculated Property
Vc	0.727	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	[546.76; 623.16]	J/mol×K	[685.44; 892.80]
Cp,gas	546.76	J/mol×K	685.44	Joback Calculated Property
Cp,gas	561.53	J/mol×K	720.00	Joback Calculated Property
Cp,gas	575.39	J/mol×K	754.56	Joback Calculated Property
Cp,gas	588.43	J/mol×K	789.12	Joback Calculated Property
Cp,gas	600.69	J/mol×K	823.68	Joback Calculated Property
Cp,gas	612.25	J/mol×K	858.24	Joback Calculated Property
Cp,gas	623.16	J/mol×K	892.80	Joback Calculated Property
η	[0.0000129; 0.0007108]	Pa×s	[428.01; 685.44]
η	0.0007108	Pa×s	428.01	Joback Calculated Property
η	0.0002690	Pa×s	470.92	Joback Calculated Property
η	0.0001197	Pa×s	513.82	Joback Calculated Property
η	0.0000604	Pa×s	556.73	Joback Calculated Property
η	0.0000336	Pa×s	599.63	Joback Calculated Property
η	0.0000202	Pa×s	642.54	Joback Calculated Property
η	0.0000129	Pa×s	685.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-hydroxy-, heptyl 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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