Chemical Properties of Ethanol, 2-(pentyloxy)-, acetate (CAS 5312-09-4)

InChI

InChI=1S/C9H18O3/c1-3-4-5-6-11-7-8-12-9(2)10/h3-8H2,1-2H3

InChI Key

INRKVKPTZMIOTG-UHFFFAOYSA-N

Formula

C9H18O3

SMILES

CCCCCOCCOC(C)=O

Molecular Weight¹

174.24

CAS

5312-09-4

Other Names

• 2-(Pentyloxy)ethyl acetate
• 2-Pentoxyethyl acetate

• 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).
• 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

Property	Value	Unit	Source
ω	0.6139		Relay (1.0) Calculated Property
ΔfG°	-390.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-671.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.62	kJ/mol	Joback Calculated Property
ΔvapH°	64.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-1.47		Relay (1.0) Calculated Property
logPoct/wat	1.756		Crippen Calculated Property
McVol	150.980	ml/mol	McGowan Calculated Property
Pc	2280.59	kPa	Joback Calculated Property
Inp	[1216.60; 1216.60]
Inp	1216.60		NIST
Inp	1216.60		NIST
Tboil	482.94	K	Relay (1.0) Calculated Property
Tc	655.03	K	Relay (1.0) Calculated Property
Tfus	214.82	K	Relay (1.0) Calculated Property
Vc	0.580	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.15; 510.26]	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			4.56160e+01
Coefficient B			7.40840e-01
Coefficient C			-2.60200e-04
Coefficient D			-1.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.15	J/mol×K	273.00	Calculated Property
Cp,gas	274.43	J/mol×K	353.78	Calculated Property
Cp,gas	317.10	J/mol×K	434.56	Calculated Property
Cp,gas	356.10	J/mol×K	515.33	Calculated Property
Cp,gas	391.39	J/mol×K	596.11	Calculated Property
Cp,gas	422.90	J/mol×K	676.89	Calculated Property
Cp,gas	450.60	J/mol×K	757.67	Calculated Property
Cp,gas	474.42	J/mol×K	838.44	Calculated Property
Cp,gas	494.32	J/mol×K	919.22	Calculated Property
Cp,gas	510.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040992; 0.0002267]	Pa×s	[255.75; 459.49]	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			-1.20256e+01
Coefficient B			1.66969e+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.			255.75
Temperature range, max.			459.49
η	0.0040992	Pa×s	255.75	Calculated Property
η	0.0024107	Pa×s	278.39	Calculated Property
η	0.0015355	Pa×s	301.03	Calculated Property
η	0.0010418	Pa×s	323.66	Calculated Property
η	0.0007436	Pa×s	346.30	Calculated Property
η	0.0005531	Pa×s	368.94	Calculated Property
η	0.0004258	Pa×s	391.58	Calculated Property
η	0.0003373	Pa×s	414.21	Calculated Property
η	0.0002737	Pa×s	436.85	Calculated Property
η	0.0002267	Pa×s	459.49	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-(pentyloxy)-, acetate.

Sources

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

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