Chemical Properties of Benzoic acid, 2-hydroxy-, propyl ester (CAS 607-90-9)

InChI

InChI=1S/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3

InChI Key

LZFIOSVZIQOVFW-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

CCCOC(=O)c1ccccc1O

Molecular Weight¹

180.20

CAS

607-90-9

Other Names

• Propyl o-hydroxybenzoate
• Propyl salicylate
• Salicylic acid, propyl ester
• Salicylic acid, n-propyl ester
• n-Propyl 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.
• 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
ΔfG°	-242.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-435.31	kJ/mol	Joback Calculated Property
ΔfusH°	24.27	kJ/mol	Joback Calculated Property
ΔvapH°	62.30	kJ/mol	Joback Calculated Property
log10WS	-2.10		Crippen Calculated Property
logPoct/wat	1.959		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Pc	3664.21	kPa	Joback Calculated Property
Inp	[1357.00; 1385.00]
Inp	1385.00		NIST
Inp	1357.00		NIST
I	1878.00		NIST
Tboil	611.79	K	Joback Calculated Property
Tc	835.24	K	Joback Calculated Property
Tfus	412.76	K	Joback Calculated Property
Vc	0.477	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[350.48; 412.55]	J/mol×K	[611.79; 835.24]
Cp,gas	350.48	J/mol×K	611.79	Joback Calculated Property
Cp,gas	362.58	J/mol×K	649.03	Joback Calculated Property
Cp,gas	373.90	J/mol×K	686.27	Joback Calculated Property
Cp,gas	384.49	J/mol×K	723.51	Joback Calculated Property
Cp,gas	394.42	J/mol×K	760.76	Joback Calculated Property
Cp,gas	403.75	J/mol×K	798.00	Joback Calculated Property
Cp,gas	412.55	J/mol×K	835.24	Joback Calculated Property
η	[0.0000320; 0.0008548]	Pa×s	[412.76; 611.79]
η	0.0008548	Pa×s	412.76	Joback Calculated Property
η	0.0004034	Pa×s	445.93	Joback Calculated Property
η	0.0002113	Pa×s	479.10	Joback Calculated Property
η	0.0001203	Pa×s	512.27	Joback Calculated Property
η	0.0000734	Pa×s	545.45	Joback Calculated Property
η	0.0000473	Pa×s	578.62	Joback Calculated Property
η	0.0000320	Pa×s	611.79	Joback Calculated Property

Similar Compounds

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

Sources

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

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