Chemical Properties of Pent-2-en-1-yl benzoate (CAS 65416-27-5)

InChI

InChI=1S/C12H14O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h3-9H,2,10H2,1H3/b7-3+

InChI Key

CSDCIXOZTUVBQA-XVNBXDOJSA-N

Formula

C12H14O2

SMILES

CCC=CCOC(=O)c1ccccc1

Molecular Weight¹

190.24

CAS

65416-27-5

• 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.
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.12; 497.42]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.06980e+01
Coefficient B			1.03012e+00
Coefficient C			-6.49400e-04
Coefficient D			1.47400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.12	J/mol×K	273.00	Calculated Property
Cp,gas	258.98	J/mol×K	353.78	Calculated Property
Cp,gas	306.41	J/mol×K	434.56	Calculated Property
Cp,gas	347.87	J/mol×K	515.33	Calculated Property
Cp,gas	383.83	J/mol×K	596.11	Calculated Property
Cp,gas	414.75	J/mol×K	676.89	Calculated Property
Cp,gas	441.11	J/mol×K	757.67	Calculated Property
Cp,gas	463.36	J/mol×K	838.44	Calculated Property
Cp,gas	481.98	J/mol×K	919.22	Calculated Property
Cp,gas	497.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031970; 0.0001615]	Pa×s	[288.67; 543.08]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.21187e+01
Coefficient B			1.83974e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			288.67
Temperature range, max.			543.08
η	0.0031970	Pa×s	288.67	Calculated Property
η	0.0018108	Pa×s	316.94	Calculated Property
η	0.0011258	Pa×s	345.20	Calculated Property
η	0.0007521	Pa×s	373.47	Calculated Property
η	0.0005318	Pa×s	401.74	Calculated Property
η	0.0003935	Pa×s	430.01	Calculated Property
η	0.0003023	Pa×s	458.27	Calculated Property
η	0.0002394	Pa×s	486.54	Calculated Property
η	0.0001945	Pa×s	514.81	Calculated Property
η	0.0001615	Pa×s	543.08	Calculated Property

Similar Compounds

Find more compounds similar to Pent-2-en-1-yl benzoate.

Sources

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

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