Chemical Properties of 2-Ethylhexyl 2-phenoxybutyrate

InChI

InChI=1S/C18H28O3/c1-4-7-11-15(5-2)14-20-18(19)17(6-3)21-16-12-9-8-10-13-16/h8-10,12-13,15,17H,4-7,11,14H2,1-3H3

InChI Key

OPTLGOZUDPLGKB-UHFFFAOYSA-N

Formula

C18H28O3

SMILES

CCCCC(CC)COC(=O)C(CC)Oc1ccccc1

Molecular Weight¹

292.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.93	kJ/mol	Joback Calculated Property
log10WS	-4.74		Relay (1.0) Calculated Property
logPoct/wat	4.604		Crippen Calculated Property
McVol	254.030	ml/mol	McGowan Calculated Property
Pc	1466.85	kPa	Joback Calculated Property
Inp	[1871.00; 1871.00]
Inp	1871.00		NIST
Inp	1871.00		NIST
Tboil	598.50	K	Relay (1.0) Calculated Property
Tfus	254.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.19; 857.13]	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			1.66000e-01
Coefficient B			1.52876e+00
Coefficient C			-7.87400e-04
Coefficient D			1.15600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.19	J/mol×K	273.00	Calculated Property
Cp,gas	447.58	J/mol×K	353.78	Calculated Property
Cp,gas	525.29	J/mol×K	434.56	Calculated Property
Cp,gas	594.70	J/mol×K	515.33	Calculated Property
Cp,gas	656.16	J/mol×K	596.11	Calculated Property
Cp,gas	710.05	J/mol×K	676.89	Calculated Property
Cp,gas	756.72	J/mol×K	757.67	Calculated Property
Cp,gas	796.55	J/mol×K	838.44	Calculated Property
Cp,gas	829.90	J/mol×K	919.22	Calculated Property
Cp,gas	857.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024204; 0.0000878]	Pa×s	[353.60; 638.85]	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			-1.34508e+01
Coefficient B			2.62619e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			353.60
Temperature range, max.			638.85
η	0.0024204	Pa×s	353.60	Calculated Property
η	0.0013139	Pa×s	385.29	Calculated Property
η	0.0007827	Pa×s	416.99	Calculated Property
η	0.0005016	Pa×s	448.68	Calculated Property
η	0.0003409	Pa×s	480.38	Calculated Property
η	0.0002431	Pa×s	512.07	Calculated Property
η	0.0001803	Pa×s	543.76	Calculated Property
η	0.0001382	Pa×s	575.46	Calculated Property
η	0.0001089	Pa×s	607.15	Calculated Property
η	0.0000878	Pa×s	638.85	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylhexyl 2-phenoxybutyrate.

Sources

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

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