Chemical Properties of 2-Propanol, 1,1'-oxybis- (CAS 110-98-5)

InChI

InChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3

InChI Key

AZUXKVXMJOIAOF-UHFFFAOYSA-N

Formula

C6H14O3

SMILES

CC(O)COCC(C)O

Molecular Weight¹

134.17

CAS

110-98-5

Other Names

• 2-Propanol, 1,1'-oxydi-
• Bis(2-hydroxypropyl) ether
• 1,1'-Oxydi-2-propanol
• 2,2'-Dihydroxydipropyl ether
• 4-Oxaheptane-2,6-diol
• 1,1'-Dimethyldiethylene glycol
• 1,1'-Oxybis-2-propanol
• Di-1,2-propylene glycol
• Di-(2-hydroxypropyl)-ether
• NSC 8688
• 1,1'-Oxydipropan-2-ol
• Dipropylene glycol

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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	0.7116		Relay (1.0) Calculated Property
ΔfG°	-383.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-647.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.61	kJ/mol	Joback Calculated Property
ΔvapH°	74.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.235		Crippen Calculated Property
McVol	113.010	ml/mol	McGowan Calculated Property
Pc	3853.09	kPa	Joback Calculated Property
Inp	[989.70; 1039.00]
Inp	1014.30		NIST
Inp	989.70		NIST
Inp	1037.80		NIST
Inp	1009.00		NIST
Inp	1039.00		NIST
Inp	1009.00		NIST
Inp	1039.00		NIST
Ip	[1817.00; 1817.00]
Ip	1817.00		NIST
Ip	1817.00		NIST
Tboil	492.51	K	Relay (1.0) Calculated Property
Tc	650.27	K	Relay (1.0) Calculated Property
Tfus	258.36	K	Relay (1.0) Calculated Property
Vc	0.427	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.54; 385.79]	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			3.01520e+01
Coefficient B			5.90440e-01
Coefficient C			-2.58800e-04
Coefficient D			2.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.54	J/mol×K	273.00	Calculated Property
Cp,gas	207.71	J/mol×K	353.78	Calculated Property
Cp,gas	239.83	J/mol×K	434.56	Calculated Property
Cp,gas	268.98	J/mol×K	515.33	Calculated Property
Cp,gas	295.24	J/mol×K	596.11	Calculated Property
Cp,gas	318.68	J/mol×K	676.89	Calculated Property
Cp,gas	339.38	J/mol×K	757.67	Calculated Property
Cp,gas	357.42	J/mol×K	838.44	Calculated Property
Cp,gas	372.86	J/mol×K	919.22	Calculated Property
Cp,gas	385.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1960058; 0.0001081]	Pa×s	[271.25; 494.09]	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			-1.82649e+01
Coefficient B			4.51231e+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.			271.25
Temperature range, max.			494.09
η	0.1960058	Pa×s	271.25	Calculated Property
η	0.0487477	Pa×s	296.01	Calculated Property
η	0.0150291	Pa×s	320.77	Calculated Property
η	0.0054847	Pa×s	345.53	Calculated Property
η	0.0022904	Pa×s	370.29	Calculated Property
η	0.0010671	Pa×s	395.05	Calculated Property
η	0.0005441	Pa×s	419.81	Calculated Property
η	0.0002990	Pa×s	444.57	Calculated Property
η	0.0001750	Pa×s	469.33	Calculated Property
η	0.0001081	Pa×s	494.09	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 101.49]	kPa	[347.00; 505.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.93207e+01
Coefficient B			-7.47533e+03
Coefficient C			3.50000e+00
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			347.00
Temperature range, max.			505.00
Pvap	0.13	kPa	347.00	Calculated Property
Pvap	0.37	kPa	364.56	Calculated Property
Pvap	0.94	kPa	382.11	Calculated Property
Pvap	2.18	kPa	399.67	Calculated Property
Pvap	4.72	kPa	417.22	Calculated Property
Pvap	9.63	kPa	434.78	Calculated Property
Pvap	18.57	kPa	452.33	Calculated Property
Pvap	34.11	kPa	469.89	Calculated Property
Pvap	59.99	kPa	487.44	Calculated Property
Pvap	101.49	kPa	505.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 1,1'-oxybis-.

Mixtures

• Magnesium chloride + 2-Propanol, 1,1'-oxybis- + Water
• 2-Propanol, 1,1'-oxybis- + Water
• n-Hexane + 2-Propanol, 1,1'-oxybis-
• 2-Propanol, 1,1'-oxybis- + Cyclohexane
• Heptane + 2-Propanol, 1,1'-oxybis-
• Octane + 2-Propanol, 1,1'-oxybis-
• Pentane, 2,2,4-trimethyl- + 2-Propanol, 1,1'-oxybis-

Sources

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

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