Chemical Properties of Isopentyloxyethyl acetate (CAS 204652-53-9)

InChI

InChI=1S/C9H18O3/c1-8(2)4-5-11-6-7-12-9(3)10/h8H,4-7H2,1-3H3

InChI Key

PZMNKXNFMSREAQ-UHFFFAOYSA-N

Formula

C9H18O3

SMILES

CC(=O)OCCOCCC(C)C

Molecular Weight¹

174.24

CAS

204652-53-9

Other Names

• 2-Isopentoxyethyl acetate

• 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	[227.83; 510.79]	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			4.39340e+01
Coefficient B			7.46760e-01
Coefficient C			-2.63400e-04
Coefficient D			-1.65000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.83	J/mol×K	273.00	Calculated Property
Cp,gas	274.42	J/mol×K	353.78	Calculated Property
Cp,gas	317.35	J/mol×K	434.56	Calculated Property
Cp,gas	356.56	J/mol×K	515.33	Calculated Property
Cp,gas	391.99	J/mol×K	596.11	Calculated Property
Cp,gas	423.61	J/mol×K	676.89	Calculated Property
Cp,gas	451.35	J/mol×K	757.67	Calculated Property
Cp,gas	475.16	J/mol×K	838.44	Calculated Property
Cp,gas	494.99	J/mol×K	919.22	Calculated Property
Cp,gas	510.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063006; 0.0002116]	Pa×s	[240.75; 461.62]	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			-1.21596e+01
Coefficient B			1.70751e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			240.75
Temperature range, max.			461.62
η	0.0063006	Pa×s	240.75	Calculated Property
η	0.0032692	Pa×s	265.29	Calculated Property
η	0.0018957	Pa×s	289.83	Calculated Property
η	0.0011968	Pa×s	314.37	Calculated Property
η	0.0008076	Pa×s	338.91	Calculated Property
η	0.0005748	Pa×s	363.45	Calculated Property
η	0.0004270	Pa×s	388.00	Calculated Property
η	0.0003287	Pa×s	412.54	Calculated Property
η	0.0002605	Pa×s	437.08	Calculated Property
η	0.0002116	Pa×s	461.62	Calculated Property

Similar Compounds

Find more compounds similar to Isopentyloxyethyl acetate.

Sources

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

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