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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.22; 326.41]	J/mol×K	[542.78; 705.85]
Cp,gas	278.22	J/mol×K	542.78	Joback Calculated Property
Cp,gas	287.05	J/mol×K	569.96	Joback Calculated Property
Cp,gas	295.55	J/mol×K	597.14	Joback Calculated Property
Cp,gas	303.74	J/mol×K	624.31	Joback Calculated Property
Cp,gas	311.61	J/mol×K	651.49	Joback Calculated Property
Cp,gas	319.17	J/mol×K	678.67	Joback Calculated Property
Cp,gas	326.41	J/mol×K	705.85	Joback Calculated Property
η	[0.0000477; 0.1960058]	Pa×s	[271.25; 542.78]
η	0.1960058	Pa×s	271.25	Joback Calculated Property
η	0.0181665	Pa×s	316.50	Joback Calculated Property
η	0.0030530	Pa×s	361.76	Joback Calculated Property
η	0.0007628	Pa×s	407.01	Joback Calculated Property
η	0.0002516	Pa×s	452.27	Joback Calculated Property
η	0.0001015	Pa×s	497.52	Joback Calculated Property
η	0.0000477	Pa×s	542.78	Joback 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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