Chemical Properties of Benzoic acid, 2-hydroxy-, 2-propenyl ester (CAS 10484-09-0)

InChI

InChI=1S/C10H10O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6,11H,1,7H2

InChI Key

YYKBLDCLPBWOOE-UHFFFAOYSA-N

Formula

C10H10O3

SMILES

C=CCOC(=O)c1ccccc1O

Molecular Weight¹

178.18

CAS

10484-09-0

Other Names

• Salicylic acid, allyl ester
• Allyl salicylate

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-394.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.57	kJ/mol	Joback Calculated Property
ΔvapH°	68.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-2.60		Relay (1.0) Calculated Property
logPoct/wat	1.735		Crippen Calculated Property
McVol	137.010	ml/mol	McGowan Calculated Property
Pc	3668.65	kPa	Joback Calculated Property
Inp	1339.00		NIST
I	[1946.00; 1946.00]
I	1946.00		NIST
I	1946.00		NIST
Tboil	533.27	K	Relay (1.0) Calculated Property
Tc	765.20	K	Relay (1.0) Calculated Property
Tfus	260.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[327.19; 385.62]	J/mol×K	[590.60; 816.61]
Cp,gas	327.19	J/mol×K	590.60	Joback Calculated Property
Cp,gas	338.88	J/mol×K	628.27	Joback Calculated Property
Cp,gas	349.69	J/mol×K	665.94	Joback Calculated Property
Cp,gas	359.69	J/mol×K	703.61	Joback Calculated Property
Cp,gas	368.97	J/mol×K	741.28	Joback Calculated Property
Cp,gas	377.59	J/mol×K	778.94	Joback Calculated Property
Cp,gas	385.62	J/mol×K	816.61	Joback Calculated Property
η	[0.0000342; 0.0015853]	Pa×s	[381.17; 590.60]
η	0.0015853	Pa×s	381.17	Joback Calculated Property
η	0.0006398	Pa×s	416.07	Joback Calculated Property
η	0.0002971	Pa×s	450.98	Joback Calculated Property
η	0.0001541	Pa×s	485.88	Joback Calculated Property
η	0.0000873	Pa×s	520.79	Joback Calculated Property
η	0.0000531	Pa×s	555.69	Joback Calculated Property
η	0.0000342	Pa×s	590.60	Joback Calculated Property

Similar Compounds

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