Chemical Properties of 1-Propanol, 2,2'-oxybis- (CAS 108-61-2)

InChI

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

InChI Key

VMKMZRBPOSNUMX-UHFFFAOYSA-N

Formula

C6H14O3

SMILES

CC(CO)OC(C)CO

Molecular Weight¹

134.17

CAS

108-61-2

Other Names

• 2,2'-oxydipropanol

• 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.
• I : 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	0.7130		Relay (1.0) Calculated Property
ΔfG°	-383.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-625.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.61	kJ/mol	Joback Calculated Property
ΔvapH°	78.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.89	eV	Relay (1.0) Calculated Property
log10WS	0.54		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	[1036.00; 1075.00]
Inp	1041.90		NIST
Inp	1036.00		NIST
Inp	1075.00		NIST
Inp	1041.90		NIST
Inp	1036.00		NIST
Inp	1075.00		NIST
I	[1892.00; 1892.00]
I	1892.00		NIST
I	1892.00		NIST
Tboil	487.73	K	Relay (1.0) Calculated Property
Tc	674.35	K	Relay (1.0) Calculated Property
Tfus	263.59	K	Relay (1.0) Calculated Property
Vc	0.402	m3/kmol	Relay (1.0) Calculated Property

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
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

Similar Compounds

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

Sources

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

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