Chemical Properties of Pentaethylene glycol, monoethyl ether (CAS 4353-29-1)

InChI

InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3

InChI Key

NJRFAMBTWHGSDE-UHFFFAOYSA-N

Formula

C12H26O6

SMILES

CCOCCOCCOCCOCCOCCO

Molecular Weight¹

266.33

CAS

4353-29-1

Other Names

• 3,6,9,12,15-pentaoxaheptadecan-1-ol

• 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	0.9971		Relay (1.0) Calculated Property
ΔfG°	-611.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-1084.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.86	kJ/mol	Joback Calculated Property
ΔvapH°	90.78	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	0.04		Relay (1.0) Calculated Property
logPoct/wat	0.082		Crippen Calculated Property
McVol	215.160	ml/mol	McGowan Calculated Property
Pc	1790.91	kPa	Joback Calculated Property
Inp	[1842.00; 1842.00]
Inp	1842.00		NIST
Inp	1842.00		NIST
Tboil	611.50	K	Relay (1.0) Calculated Property
Tc	778.45	K	Relay (1.0) Calculated Property
Tfus	243.84	K	Relay (1.0) Calculated Property
Vc	0.835	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.57; 749.59]	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			1.24771e+02
Coefficient B			8.61820e-01
Coefficient C			-1.04400e-04
Coefficient D			-1.32600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	349.57	J/mol×K	273.00	Calculated Property
Cp,gas	410.73	J/mol×K	353.78	Calculated Property
Cp,gas	468.68	J/mol×K	434.56	Calculated Property
Cp,gas	523.02	J/mol×K	515.33	Calculated Property
Cp,gas	573.32	J/mol×K	596.11	Calculated Property
Cp,gas	619.17	J/mol×K	676.89	Calculated Property
Cp,gas	660.14	J/mol×K	757.67	Calculated Property
Cp,gas	695.81	J/mol×K	838.44	Calculated Property
Cp,gas	725.77	J/mol×K	919.22	Calculated Property
Cp,gas	749.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008989; 0.0000406]	Pa×s	[396.97; 588.98]	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			-1.65122e+01
Coefficient B			3.77040e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			396.97
Temperature range, max.			588.98
η	0.0008989	Pa×s	396.97	Calculated Property
η	0.0005538	Pa×s	418.30	Calculated Property
η	0.0003576	Pa×s	439.64	Calculated Property
η	0.0002404	Pa×s	460.97	Calculated Property
η	0.0001674	Pa×s	482.31	Calculated Property
η	0.0001202	Pa×s	503.64	Calculated Property
η	0.0000887	Pa×s	524.98	Calculated Property
η	0.0000670	Pa×s	546.31	Calculated Property
η	0.0000517	Pa×s	567.65	Calculated Property
η	0.0000406	Pa×s	588.98	Calculated Property

Similar Compounds

Find more compounds similar to Pentaethylene glycol, monoethyl ether.

Sources

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

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