Chemical Properties of Benzoic acid, 2-ethylhexyl ester (CAS 5444-75-7)

InChI

InChI=1S/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3

InChI Key

UADWUILHKRXHMM-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

CCCCC(CC)COC(=O)c1ccccc1

Molecular Weight¹

250.33

CAS

5444-75-7

Other Names

• 2-Ethyl-1-hexanol benzoate
• 2-ethylhexyl benzoate
• Ethylhexyl benzoate

• ω : Acentric Factor.
• 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).
• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• D^*_i : Self diffusion coefficient (m²/s).
• 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	0.6763		Relay (1.0) Calculated Property
ΔfG°	-48.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-417.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.91	kJ/mol	Joback Calculated Property
ΔvapH°	77.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-4.95		Relay (1.0) Calculated Property
logPoct/wat	4.060		Crippen Calculated Property
McVol	205.890	ml/mol	McGowan Calculated Property
Pc	1935.54	kPa	Joback Calculated Property
Inp	[1674.00; 1735.00]
Inp	1735.00		NIST
Inp	1674.00		NIST
Inp	1735.00		NIST
Inp	1674.00		NIST
I	[2598.00; 2598.00]
I	2598.00		NIST
I	2598.00		NIST
Tboil	575.47	K	Relay (1.0) Calculated Property
Tc	766.55	K	Relay (1.0) Calculated Property
Tfus	216.14	K	Relay (1.0) Calculated Property
Vc	0.740	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[546.83; 635.49]	J/mol×K	[645.13; 846.21]
Cp,gas	546.83	J/mol×K	645.13	Joback Calculated Property
Cp,gas	563.95	J/mol×K	678.64	Joback Calculated Property
Cp,gas	580.10	J/mol×K	712.16	Joback Calculated Property
Cp,gas	595.30	J/mol×K	745.67	Joback Calculated Property
Cp,gas	609.57	J/mol×K	779.18	Joback Calculated Property
Cp,gas	622.96	J/mol×K	812.70	Joback Calculated Property
Cp,gas	635.49	J/mol×K	846.21	Joback Calculated Property
η	[0.0001267; 0.0024547]	Pa×s	[342.39; 645.13]
η	0.0024547	Pa×s	342.39	Joback Calculated Property
η	0.0010907	Pa×s	392.85	Joback Calculated Property
η	0.0005830	Pa×s	443.30	Joback Calculated Property
η	0.0003541	Pa×s	493.76	Joback Calculated Property
η	0.0002360	Pa×s	544.22	Joback Calculated Property
η	0.0001684	Pa×s	594.67	Joback Calculated Property
η	0.0001267	Pa×s	645.13	Joback Calculated Property
ρl	[910.61; 981.12]	kg/m3	[273.15; 363.15]
ρl	981.12	kg/m3	273.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
ρl	977.18	kg/m3	278.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
ρl	973.25	kg/m3	283.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
ρl	969.32	kg/m3	288.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
ρl	965.40	kg/m3	293.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
ρl	961.49	kg/m3	298.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
ρl	957.57	kg/m3	303.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
ρl	949.73	kg/m3	313.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
ρl	941.92	kg/m3	323.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
ρl	934.11	kg/m3	333.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
ρl	926.28	kg/m3	343.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
ρl	918.45	kg/m3	353.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
ρl	910.61	kg/m3	363.15	Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
D*i	[2.18e-05; 6.38e-04]	m2/s	[258.42; 352.41]
D*i	2.26e-05	m2/s	258.42	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	2.18e-05	m2/s	258.44	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	2.21e-05	m2/s	258.46	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	3.30e-05	m2/s	264.21	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	3.31e-05	m2/s	264.21	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	5.57e-05	m2/s	273.42	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	5.61e-05	m2/s	273.50	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	5.67e-05	m2/s	273.67	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	7.32e-05	m2/s	278.40	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	7.24e-05	m2/s	278.43	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	7.27e-05	m2/s	278.45	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	7.33e-05	m2/s	278.50	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	1.10e-04	m2/s	288.41	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	1.11e-04	m2/s	288.46	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	1.34e-04	m2/s	293.37	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	1.35e-04	m2/s	293.38	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	1.63e-04	m2/s	298.06	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	1.64e-04	m2/s	298.09	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	1.65e-04	m2/s	298.14	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	1.60e-04	m2/s	298.27	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	1.60e-04	m2/s	298.29	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	2.25e-04	m2/s	307.92	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	2.26e-04	m2/s	308.07	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	2.22e-04	m2/s	308.26	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	2.21e-04	m2/s	308.30	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	2.54e-04	m2/s	313.05	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	2.54e-04	m2/s	313.06	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	2.91e-04	m2/s	317.99	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	2.92e-04	m2/s	318.06	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	3.74e-04	m2/s	327.81	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	3.74e-04	m2/s	327.87	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	4.18e-04	m2/s	332.77	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	4.18e-04	m2/s	332.80	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	4.22e-04	m2/s	333.30	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	4.72e-04	m2/s	337.81	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	4.71e-04	m2/s	337.81	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	5.84e-04	m2/s	347.49	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	5.82e-04	m2/s	347.52	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	6.38e-04	m2/s	352.18	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	6.36e-04	m2/s	352.33	Viscous Calibration Liquids for Self-diffusion Measurements
D*i	6.36e-04	m2/s	352.41	Viscous Calibration Liquids for Self-diffusion Measurements

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Viscous Calibration Liquids for Self-diffusion Measurements
• Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
• Joback Method
• McGowan Method
• NIST Webbook

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