Chemical Properties of Heptaethylene glycol, pentyl ether, acetate

InChI

InChI=1S/C21H42O9/c1-3-4-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-17-18-29-19-20-30-21(2)22/h3-20H2,1-2H3

InChI Key

ZCTDJKAUOOIYMM-UHFFFAOYSA-N

Formula

C21H42O9

SMILES

CCCCCOCCOCCOCCOCCOCCOCCOCCOC(C)=O

Molecular Weight¹

438.55

Other Names

• 2-(2-(2-(2-(2-(2-Pentoxy-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethyl 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	1.2456		Relay (1.0) Calculated Property
ΔfG°	-919.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1655.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.83	kJ/mol	Joback Calculated Property
ΔvapH°	114.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-1.74		Relay (1.0) Calculated Property
logPoct/wat	1.856		Crippen Calculated Property
McVol	355.280	ml/mol	McGowan Calculated Property
Pc	892.13	kPa	Joback Calculated Property
Inp	[2918.30; 2918.30]
Inp	2918.30		NIST
Inp	2918.30		NIST
Tboil	686.83	K	Relay (1.0) Calculated Property
Tc	836.43	K	Relay (1.0) Calculated Property
Tfus	222.97	K	Relay (1.0) Calculated Property
Vc	1.367	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.14; 1240.35]	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			1.87708e+02
Coefficient B			1.50164e+00
Coefficient C			-2.47000e-04
Coefficient D			-2.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	575.14	J/mol×K	273.00	Calculated Property
Cp,gas	679.10	J/mol×K	353.78	Calculated Property
Cp,gas	777.03	J/mol×K	434.56	Calculated Property
Cp,gas	868.31	J/mol×K	515.33	Calculated Property
Cp,gas	952.29	J/mol×K	596.11	Calculated Property
Cp,gas	1028.33	J/mol×K	676.89	Calculated Property
Cp,gas	1095.80	J/mol×K	757.67	Calculated Property
Cp,gas	1154.05	J/mol×K	838.44	Calculated Property
Cp,gas	1202.45	J/mol×K	919.22	Calculated Property
Cp,gas	1240.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001150; 0.0000134]	Pa×s	[524.37; 769.73]	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			-1.58065e+01
Coefficient B			3.53215e+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.			524.37
Temperature range, max.			769.73
η	0.0001150	Pa×s	524.37	Calculated Property
η	0.0000824	Pa×s	551.63	Calculated Property
η	0.0000610	Pa×s	578.89	Calculated Property
η	0.0000463	Pa×s	606.16	Calculated Property
η	0.0000361	Pa×s	633.42	Calculated Property
η	0.0000287	Pa×s	660.68	Calculated Property
η	0.0000232	Pa×s	687.94	Calculated Property
η	0.0000191	Pa×s	715.20	Calculated Property
η	0.0000159	Pa×s	742.46	Calculated Property
η	0.0000134	Pa×s	769.73	Calculated Property

Similar Compounds

Find more compounds similar to Heptaethylene glycol, pentyl ether, acetate.

Sources

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

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