Chemical Properties of 2-(2-(2-(2-(2-(2-Isopentoxy-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethyl acetate

InChI

InChI=1S/C21H42O9/c1-20(2)4-5-23-6-7-24-8-9-25-10-11-26-12-13-27-14-15-28-16-17-29-18-19-30-21(3)22/h20H,4-19H2,1-3H3

InChI Key

UZDYGKHEJAATER-UHFFFAOYSA-N

Formula

C21H42O9

SMILES

CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCC(C)C

Molecular Weight¹

438.56

• 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

Property	Value	Unit	Source
ω	1.2124		Relay (1.0) Calculated Property
ΔfH°gas	-1669.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.31	kJ/mol	Joback Calculated Property
ΔvapH°	113.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-1.66		Relay (1.0) Calculated Property
logPoct/wat	1.712		Crippen Calculated Property
McVol	355.280	ml/mol	McGowan Calculated Property
Pc	896.41	kPa	Joback Calculated Property
Inp	[2874.60; 2874.60]
Inp	2874.60		NIST
Inp	2874.60		NIST
Tboil	686.38	K	Relay (1.0) Calculated Property
Tc	836.45	K	Relay (1.0) Calculated Property
Tfus	216.78	K	Relay (1.0) Calculated Property
Vc	1.351	m3/kmol	Relay (1.0) Calculated Property

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	[574.82; 1240.89]	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			1.86026e+02
Coefficient B			1.50756e+00
Coefficient C			-2.50200e-04
Coefficient D			-2.02500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	574.82	J/mol×K	273.00	Calculated Property
Cp,gas	679.09	J/mol×K	353.78	Calculated Property
Cp,gas	777.28	J/mol×K	434.56	Calculated Property
Cp,gas	868.76	J/mol×K	515.33	Calculated Property
Cp,gas	952.90	J/mol×K	596.11	Calculated Property
Cp,gas	1029.04	J/mol×K	676.89	Calculated Property
Cp,gas	1096.55	J/mol×K	757.67	Calculated Property
Cp,gas	1154.79	J/mol×K	838.44	Calculated Property
Cp,gas	1203.11	J/mol×K	919.22	Calculated Property
Cp,gas	1240.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001321; 0.0000124]	Pa×s	[509.37; 768.69]	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			-1.59405e+01
Coefficient B			3.56997e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			509.37
Temperature range, max.			768.69
η	0.0001321	Pa×s	509.37	Calculated Property
η	0.0000908	Pa×s	538.18	Calculated Property
η	0.0000648	Pa×s	567.00	Calculated Property
η	0.0000478	Pa×s	595.81	Calculated Property
η	0.0000362	Pa×s	624.62	Calculated Property
η	0.0000282	Pa×s	653.44	Calculated Property
η	0.0000224	Pa×s	682.25	Calculated Property
η	0.0000181	Pa×s	711.06	Calculated Property
η	0.0000149	Pa×s	739.87	Calculated Property
η	0.0000124	Pa×s	768.69	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-(2-(2-(2-(2-Isopentoxy-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethyl acetate.

Sources

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

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