Chemical Properties of Benzoic acid, 2-propenyl ester (CAS 583-04-0)

InChI

InChI=1S/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7H,1,8H2

InChI Key

LYJHVEDILOKZCG-UHFFFAOYSA-N

Formula

C10H10O2

SMILES

C=CCOC(=O)c1ccccc1

Molecular Weight¹

162.19

CAS

583-04-0

Other Names

• Benzoic acid, allyl ester
• Allyl benzoate
• 2-Propenyl benzoate

• 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°	-0.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-132.57	kJ/mol	Joback Calculated Property
ΔfusH°	17.20	kJ/mol	Joback Calculated Property
ΔvapH°	48.62	kJ/mol	Joback Calculated Property
log10WS	-2.40		Crippen Calculated Property
logPoct/wat	2.029		Crippen Calculated Property
McVol	131.140	ml/mol	McGowan Calculated Property
Pc	3231.98	kPa	Joback Calculated Property
Inp	[1221.00; 1263.00]
Inp	1254.00		NIST
Inp	1221.00		NIST
Inp	Outlier 1263.00		NIST
Inp	1241.00		NIST
Inp	1248.00		NIST
Inp	1260.00		NIST
Inp	1239.00		NIST
Inp	1231.00		NIST
Inp	1236.00		NIST
Inp	1238.00		NIST
Inp	1230.00		NIST
Inp	1230.00		NIST
Inp	1232.00		NIST
Inp	1243.00		NIST
Inp	1254.00		NIST
Inp	1239.00		NIST
Inp	1230.00		NIST
Inp	1239.00		NIST
I	[1791.00; 1848.00]
I	1834.00		NIST
I	1820.00		NIST
I	1836.00		NIST
I	1848.00		NIST
I	1791.00		NIST
I	1828.00		NIST
I	1806.00		NIST
I	1805.00		NIST
I	1808.00		NIST
I	1802.00		NIST
I	1800.00		NIST
I	1800.00		NIST
I	1834.00		NIST
Tboil	502.90 ± 1.50	K	NIST
Tc	745.16	K	Joback Calculated Property
Tfus	299.28	K	Joback Calculated Property
Vc	0.492	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.78; 347.91]	J/mol×K	[527.85; 745.16]
Cp,gas	281.78	J/mol×K	527.85	Joback Calculated Property
Cp,gas	294.67	J/mol×K	564.07	Joback Calculated Property
Cp,gas	306.78	J/mol×K	600.29	Joback Calculated Property
Cp,gas	318.13	J/mol×K	636.51	Joback Calculated Property
Cp,gas	328.76	J/mol×K	672.73	Joback Calculated Property
Cp,gas	338.67	J/mol×K	708.94	Joback Calculated Property
Cp,gas	347.91	J/mol×K	745.16	Joback Calculated Property
η	[0.0002209; 0.0022001]	Pa×s	[299.28; 527.85]
η	0.0022001	Pa×s	299.28	Joback Calculated Property
η	0.0012082	Pa×s	337.38	Joback Calculated Property
η	0.0007493	Pa×s	375.47	Joback Calculated Property
η	0.0005075	Pa×s	413.56	Joback Calculated Property
η	0.0003670	Pa×s	451.66	Joback Calculated Property
η	0.0002792	Pa×s	489.75	Joback Calculated Property
η	0.0002209	Pa×s	527.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.