Chemical Properties of Benzoic acid, 2-hydroxy-, butyl ester (CAS 2052-14-4)

InChI

InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3

InChI Key

YFDUWSBGVPBWKF-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

CCCCOC(=O)c1ccccc1O

Molecular Weight¹

194.23

CAS

2052-14-4

Other Names

• 2-Hydroxy-benzoic acid, butyl ester
• Butyl 2-hydroxybenzoate
• Butyl o-hydroxybenzoate
• Butyl salicylate
• NSC 1511
• NSC 403676
• Salicylic acid, butyl ester
• Salicylic acid, n-butyl ester
• n-Butyl o-hydroxybenzoate
• n-Butyl 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	0.7266		Relay (1.0) Calculated Property
ΔfH°gas	-527.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.44	kJ/mol	Joback Calculated Property
ΔvapH°	70.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	2.349		Crippen Calculated Property
McVol	155.400	ml/mol	McGowan Calculated Property
Pc	3124.49	kPa	Joback Calculated Property
Inp	[1426.00; 1457.00]
Inp	1454.80		NIST
Inp	1426.00		NIST
Inp	1436.00		NIST
Inp	1457.00		NIST
Inp	1436.00		NIST
Inp	1457.00		NIST
Inp	1454.80		NIST
Inp	1426.00		NIST
I	1976.00		NIST
Tboil	544.20	K	NIST
Tc	765.73	K	Relay (1.0) Calculated Property
Tfus	253.26	K	Relay (1.0) Calculated Property
Vc	0.561	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	[395.17; 462.10]	J/mol×K	[616.80; 834.18]
Cp,gas	395.17	J/mol×K	616.80	Joback Calculated Property
Cp,gas	408.31	J/mol×K	653.03	Joback Calculated Property
Cp,gas	420.57	J/mol×K	689.26	Joback Calculated Property
Cp,gas	432.02	J/mol×K	725.49	Joback Calculated Property
Cp,gas	442.71	J/mol×K	761.72	Joback Calculated Property
Cp,gas	452.72	J/mol×K	797.95	Joback Calculated Property
Cp,gas	462.10	J/mol×K	834.18	Joback Calculated Property
η	[0.0000257; 0.0012938]	Pa×s	[394.20; 616.80]
η	0.0012938	Pa×s	394.20	Joback Calculated Property
η	0.0005082	Pa×s	431.30	Joback Calculated Property
η	0.0002315	Pa×s	468.40	Joback Calculated Property
η	0.0001183	Pa×s	505.50	Joback Calculated Property
η	0.0000663	Pa×s	542.60	Joback Calculated Property
η	0.0000400	Pa×s	579.70	Joback Calculated Property
η	0.0000257	Pa×s	616.80	Joback Calculated Property

Similar Compounds

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