Chemical Properties of Heptaethylene glycol (CAS 5617-32-3)

InChI

InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2

InChI Key

XPJRQAIZZQMSCM-UHFFFAOYSA-N

Formula

C14H30O8

SMILES

OCCOCCOCCOCCOCCOCCOCCO

Molecular Weight¹

326.38

CAS

5617-32-3

Other Names

• 3,6,9,12,15,18-Hexaoxaeicosane-1,20-diol
• 2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• 3,6,9,12,15,18-hexaoxaicosane-1,20-diol

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1373.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.32	kJ/mol	Joback Calculated Property
ΔvapH°	113.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	0.25		Relay (1.0) Calculated Property
logPoct/wat	-0.929		Crippen Calculated Property
McVol	255.080	ml/mol	McGowan Calculated Property
Pc	1625.91	kPa	Joback Calculated Property
Inp	[2364.00; 2364.60]
Inp	2364.00		NIST
Inp	2364.60		NIST
Inp	2364.60		NIST
Tboil	665.51	K	Relay (1.0) Calculated Property
Tc	886.56	K	Relay (1.0) Calculated Property
Tfus	280.85 ± 0.70	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[419.90; 889.94]	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			1.53744e+02
Coefficient B			1.02260e+00
Coefficient C			-1.32600e-04
Coefficient D			-1.53800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.90	J/mol×K	273.00	Calculated Property
Cp,gas	492.11	J/mol×K	353.78	Calculated Property
Cp,gas	560.46	J/mol×K	434.56	Calculated Property
Cp,gas	624.46	J/mol×K	515.33	Calculated Property
Cp,gas	683.63	J/mol×K	596.11	Calculated Property
Cp,gas	737.48	J/mol×K	676.89	Calculated Property
Cp,gas	785.52	J/mol×K	757.67	Calculated Property
Cp,gas	827.27	J/mol×K	838.44	Calculated Property
Cp,gas	862.24	J/mol×K	919.22	Calculated Property
Cp,gas	889.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[1.0233672; 0.0000035]	Pa×s	[280.85; 719.70]	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			-2.06299e+01
Coefficient B			5.80040e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			280.85
Temperature range, max.			719.70
η	1.0233672	Pa×s	280.85	Calculated Property
η	0.0482087	Pa×s	329.61	Calculated Property
η	0.0049914	Pa×s	378.37	Calculated Property
η	0.0008673	Pa×s	427.13	Calculated Property
η	0.0002157	Pa×s	475.89	Calculated Property
η	0.0000695	Pa×s	524.66	Calculated Property
η	0.0000271	Pa×s	573.42	Calculated Property
η	0.0000123	Pa×s	622.18	Calculated Property
η	0.0000062	Pa×s	670.94	Calculated Property
η	0.0000035	Pa×s	719.70	Calculated Property

Similar Compounds

Find more compounds similar to Heptaethylene glycol.

Sources

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

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