Chemical Properties of Triethylene glycol, hexyl ether

InChI

InChI=1S/C12H26O4/c1-2-3-4-5-7-14-9-11-16-12-10-15-8-6-13/h13H,2-12H2,1H3

InChI Key

RGICCULPCWNRAB-UHFFFAOYSA-N

Formula

C12H26O4

SMILES

CCCCCCOCCOCCOCCO

Molecular Weight¹

234.33

Other Names

• Triethylene glycol, monohexyl ether
• ethanol, 2-[2-[2-(hexyloxy)ethoxy]ethoxy]-
• triethylene glycol mono-n-hexyl ether
• triethylene glycol monohexyl ether

• 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	0.9424		Relay (1.0) Calculated Property
ΔfG°	-401.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-830.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.49	kJ/mol	Joback Calculated Property
ΔvapH°	88.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.75	eV	Relay (1.0) Calculated Property
log10WS	-1.51		Relay (1.0) Calculated Property
logPoct/wat	1.609		Crippen Calculated Property
McVol	203.420	ml/mol	McGowan Calculated Property
Pc	1843.58	kPa	Joback Calculated Property
Inp	[1631.00; 1631.00]
Inp	1631.00		NIST
Inp	1631.00		NIST
Tboil	583.26	K	Relay (1.0) Calculated Property
Tc	751.66	K	Relay (1.0) Calculated Property
Tfus	248.88	K	Relay (1.0) Calculated Property
Vc	0.784	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[318.76; 712.59]	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			7.37710e+01
Coefficient B			9.88220e-01
Coefficient C			-3.26400e-04
Coefficient D			-2.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	318.76	J/mol×K	273.00	Calculated Property
Cp,gas	381.51	J/mol×K	353.78	Calculated Property
Cp,gas	439.68	J/mol×K	434.56	Calculated Property
Cp,gas	493.20	J/mol×K	515.33	Calculated Property
Cp,gas	542.00	J/mol×K	596.11	Calculated Property
Cp,gas	586.00	J/mol×K	676.89	Calculated Property
Cp,gas	625.14	J/mol×K	757.67	Calculated Property
Cp,gas	659.33	J/mol×K	838.44	Calculated Property
Cp,gas	688.50	J/mol×K	919.22	Calculated Property
Cp,gas	712.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028368; 0.0000733]	Pa×s	[352.51; 555.57]	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			-1.58682e+01
Coefficient B			3.52622e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			352.51
Temperature range, max.			555.57
η	0.0028368	Pa×s	352.51	Calculated Property
η	0.0015542	Pa×s	375.07	Calculated Property
η	0.0009116	Pa×s	397.64	Calculated Property
η	0.0005663	Pa×s	420.20	Calculated Property
η	0.0003692	Pa×s	442.76	Calculated Property
η	0.0002510	Pa×s	465.32	Calculated Property
η	0.0001768	Pa×s	487.89	Calculated Property
η	0.0001284	Pa×s	510.45	Calculated Property
η	0.0000959	Pa×s	533.01	Calculated Property
η	0.0000733	Pa×s	555.57	Calculated Property

Similar Compounds

Find more compounds similar to Triethylene glycol, hexyl ether.

Mixtures

• Carbon dioxide + Triethylene glycol, hexyl ether
• Water + Triethylene glycol, hexyl ether

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Effect of the ethoxy groups distribution on the phase behaviour of the binary systems carbon dioxide CO2 with industrial non-ionic surfactants (CiEOj)
• Mutual Solubility and Lower Critical Solution Temperature for Water + Glycol Ether Systems
• Joback Method
• McGowan Method
• NIST Webbook

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