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

• 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	0.6825		Relay (1.0) Calculated Property
ΔfH°gas	-512.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.85	kJ/mol	Joback Calculated Property
ΔvapH°	65.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-2.95		Relay (1.0) Calculated Property
logPoct/wat	1.959		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Pc	3488.88	kPa	Joback Calculated Property
Inp	[1357.00; 1385.00]
Inp	1385.00		NIST
Inp	1357.00		NIST
I	1878.00		NIST
Tboil	531.95	K	Relay (1.0) Calculated Property
Tc	750.52	K	Relay (1.0) Calculated Property
Tfus	265.88	K	Relay (1.0) Calculated Property
Vc	0.508	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	[347.58; 410.43]	J/mol×K	[593.92; 815.22]
Cp,gas	347.58	J/mol×K	593.92	Joback Calculated Property
Cp,gas	360.00	J/mol×K	630.80	Joback Calculated Property
Cp,gas	371.56	J/mol×K	667.69	Joback Calculated Property
Cp,gas	382.32	J/mol×K	704.57	Joback Calculated Property
Cp,gas	392.34	J/mol×K	741.45	Joback Calculated Property
Cp,gas	401.69	J/mol×K	778.34	Joback Calculated Property
Cp,gas	410.43	J/mol×K	815.22	Joback Calculated Property
η	[0.0000324; 0.0015769]	Pa×s	[382.93; 593.92]
η	0.0015769	Pa×s	382.93	Joback Calculated Property
η	0.0006285	Pa×s	418.10	Joback Calculated Property
η	0.0002889	Pa×s	453.26	Joback Calculated Property
η	0.0001486	Pa×s	488.42	Joback Calculated Property
η	0.0000835	Pa×s	523.59	Joback Calculated Property
η	0.0000505	Pa×s	558.75	Joback Calculated Property
η	0.0000324	Pa×s	593.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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