Chemical Properties of Benzoic acid, 2-hydroxy-, 1-methylethyl ester (CAS 607-85-2)

InChI

InChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3

InChI Key

YEULQIJMIOWCHB-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

CC(C)OC(=O)c1ccccc1O

Molecular Weight¹

180.20

CAS

607-85-2

Other Names

• Salicylic acid, isopropyl ester
• Isopropyl o-hydroxybenzoate
• Isopropyl salicylate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	-245.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-440.59	kJ/mol	Joback Calculated Property
ΔfusH°	20.74	kJ/mol	Joback Calculated Property
ΔvapH°	61.91	kJ/mol	Joback Calculated Property
log10WS	-2.21		Crippen Calculated Property
logPoct/wat	1.957		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Pc	3699.95	kPa	Joback Calculated Property
Inp	[1292.00; 1320.00]
Inp	1320.00		NIST
Inp	1292.00		NIST
Tboil	611.35	K	Joback Calculated Property
Tc	839.56	K	Joback Calculated Property
Tfus	397.76	K	Joback Calculated Property
Vc	0.471	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[350.96; 414.28]	J/mol×K	[611.35; 839.56]
Cp,gas	350.96	J/mol×K	611.35	Joback Calculated Property
Cp,gas	363.37	J/mol×K	649.38	Joback Calculated Property
Cp,gas	374.95	J/mol×K	687.42	Joback Calculated Property
Cp,gas	385.76	J/mol×K	725.45	Joback Calculated Property
Cp,gas	395.88	J/mol×K	763.49	Joback Calculated Property
Cp,gas	405.36	J/mol×K	801.52	Joback Calculated Property
Cp,gas	414.28	J/mol×K	839.56	Joback Calculated Property
η	[0.0000300; 0.0012031]	Pa×s	[397.76; 611.35]
η	0.0012031	Pa×s	397.76	Joback Calculated Property
η	0.0005049	Pa×s	433.36	Joback Calculated Property
η	0.0002417	Pa×s	468.96	Joback Calculated Property
η	0.0001284	Pa×s	504.56	Joback Calculated Property
η	0.0000742	Pa×s	540.15	Joback Calculated Property
η	0.0000458	Pa×s	575.75	Joback Calculated Property
η	0.0000300	Pa×s	611.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-hydroxy-, 1-methylethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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