Chemical Properties of Diethylene glycol, octyl ether (CAS 19327-37-8)

InChI

InChI=1S/C12H26O3/c1-2-3-4-5-6-7-9-14-11-12-15-10-8-13/h13H,2-12H2,1H3

InChI Key

NDSYZZUVPRGESW-UHFFFAOYSA-N

Formula

C12H26O3

SMILES

CCCCCCCCOCCOCCO

Molecular Weight¹

218.33

CAS

19327-37-8

Other Names

• 2-[2-(octyloxy)ethoxy]ethanol
• Diethylene glycol, monooctyl 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	0.9127		Relay (1.0) Calculated Property
ΔfG°	-296.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-703.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.30	kJ/mol	Joback Calculated Property
ΔvapH°	86.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-2.47		Relay (1.0) Calculated Property
logPoct/wat	2.372		Crippen Calculated Property
McVol	197.550	ml/mol	McGowan Calculated Property
Pc	1870.79	kPa	Joback Calculated Property
Inp	[1568.00; 1568.00]
Inp	1568.00		NIST
Inp	1568.00		NIST
Tboil	569.22	K	Relay (1.0) Calculated Property
Tc	740.56	K	Relay (1.0) Calculated Property
Tfus	261.77	K	Relay (1.0) Calculated Property
Vc	0.762	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.36; 694.09]	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			4.82710e+01
Coefficient B			1.05142e+00
Coefficient C			-4.37400e-04
Coefficient D			3.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	303.36	J/mol×K	273.00	Calculated Property
Cp,gas	366.90	J/mol×K	353.78	Calculated Property
Cp,gas	425.18	J/mol×K	434.56	Calculated Property
Cp,gas	478.30	J/mol×K	515.33	Calculated Property
Cp,gas	526.34	J/mol×K	596.11	Calculated Property
Cp,gas	569.42	J/mol×K	676.89	Calculated Property
Cp,gas	607.63	J/mol×K	757.67	Calculated Property
Cp,gas	641.08	J/mol×K	838.44	Calculated Property
Cp,gas	669.87	J/mol×K	919.22	Calculated Property
Cp,gas	694.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052677; 0.0000971]	Pa×s	[330.28; 539.19]	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			-1.55530e+01
Coefficient B			3.40413e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			330.28
Temperature range, max.			539.19
η	0.0052677	Pa×s	330.28	Calculated Property
η	0.0026773	Pa×s	353.49	Calculated Property
η	0.0014790	Pa×s	376.70	Calculated Property
η	0.0008754	Pa×s	399.92	Calculated Property
η	0.0005488	Pa×s	423.13	Calculated Property
η	0.0003611	Pa×s	446.34	Calculated Property
η	0.0002477	Pa×s	469.55	Calculated Property
η	0.0001760	Pa×s	492.77	Calculated Property
η	0.0001290	Pa×s	515.98	Calculated Property
η	0.0000971	Pa×s	539.19	Calculated Property

Similar Compounds

Find more compounds similar to Diethylene glycol, octyl ether.

Sources

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

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