Chemical Properties of (E)-2-Butenyl benzoate

InChI

InChI=1S/C11H12O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h2-8H,9H2,1H3/b3-2+

InChI Key

QYOVCBKZFRCMCG-NSCUHMNNSA-N

Formula

C11H12O2

SMILES

CC=CCOC(=O)c1ccccc1

Molecular Weight¹

176.21

• 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	0.4964		Relay (1.0) Calculated Property
ΔfH°gas	-237.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.86	kJ/mol	Joback Calculated Property
ΔvapH°	67.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-3.19		Relay (1.0) Calculated Property
logPoct/wat	2.420		Crippen Calculated Property
McVol	145.230	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
Inp	[1359.00; 1381.00]
Inp	1375.00		NIST
Inp	1359.00		NIST
Inp	1381.00		NIST
Inp	1366.00		NIST
Inp	1373.00		NIST
Inp	1376.00		NIST
Inp	1371.00		NIST
Inp	1362.00		NIST
Inp	1369.00		NIST
Inp	1364.00		NIST
Inp	1364.00		NIST
Inp	1371.00		NIST
I	[1931.00; 1986.00]
I	1961.00		NIST
I	1956.00		NIST
I	1973.00		NIST
I	1986.00		NIST
I	1931.00		NIST
I	1981.00		NIST
I	1951.00		NIST
I	1956.00		NIST
I	1956.00		NIST
I	1931.00		NIST
Tboil	519.11	K	Relay (1.0) Calculated Property
Tc	727.65	K	Relay (1.0) Calculated Property
Tfus	249.96	K	Relay (1.0) Calculated Property
Vc	0.515	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	[323.15; 395.79]	J/mol×K	[540.34; 756.55]
Cp,gas	323.15	J/mol×K	540.34	Joback Calculated Property
Cp,gas	337.47	J/mol×K	576.38	Joback Calculated Property
Cp,gas	350.86	J/mol×K	612.41	Joback Calculated Property
Cp,gas	363.34	J/mol×K	648.45	Joback Calculated Property
Cp,gas	374.97	J/mol×K	684.48	Joback Calculated Property
Cp,gas	385.77	J/mol×K	720.52	Joback Calculated Property
Cp,gas	395.79	J/mol×K	756.55	Joback Calculated Property
η	[0.0001560; 0.0033338]	Pa×s	[277.40; 540.34]
η	0.0033338	Pa×s	277.40	Joback Calculated Property
η	0.0014129	Pa×s	321.22	Joback Calculated Property
η	0.0007358	Pa×s	365.05	Joback Calculated Property
η	0.0004408	Pa×s	408.87	Joback Calculated Property
η	0.0002915	Pa×s	452.69	Joback Calculated Property
η	0.0002074	Pa×s	496.52	Joback Calculated Property
η	0.0001560	Pa×s	540.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-2-Butenyl benzoate.

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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