Chemical Properties of 2-Butanol, 3,3'-oxybis-

InChI

InChI=1S/C8H18O3/c1-5(9)7(3)11-8(4)6(2)10/h5-10H,1-4H3

InChI Key

GWHZXOQHXAXFQK-UHFFFAOYSA-N

Formula

C8H18O3

SMILES

CC(O)C(C)OC(C)C(C)O

Molecular Weight¹

162.23

Other Names

• 3,3'-Oxybis(butan-2-ol)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-686.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.75	kJ/mol	Joback Calculated Property
ΔvapH°	76.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-0.03		Relay (1.0) Calculated Property
logPoct/wat	0.542		Crippen Calculated Property
McVol	141.190	ml/mol	McGowan Calculated Property
Pc	3131.49	kPa	Joback Calculated Property
Inp	[1112.30; 1112.30]
Inp	1112.30		NIST
Inp	1112.30		NIST
Tboil	502.30	K	Relay (1.0) Calculated Property
Tc	648.82	K	Relay (1.0) Calculated Property
Tfus	304.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.34; 490.05]	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			2.49700e+01
Coefficient B			7.92280e-01
Coefficient C			-3.74000e-04
Coefficient D			4.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.34	J/mol×K	273.00	Calculated Property
Cp,gas	260.52	J/mol×K	353.78	Calculated Property
Cp,gas	302.47	J/mol×K	434.56	Calculated Property
Cp,gas	340.34	J/mol×K	515.33	Calculated Property
Cp,gas	374.27	J/mol×K	596.11	Calculated Property
Cp,gas	404.41	J/mol×K	676.89	Calculated Property
Cp,gas	430.91	J/mol×K	757.67	Calculated Property
Cp,gas	453.92	J/mol×K	838.44	Calculated Property
Cp,gas	473.58	J/mol×K	919.22	Calculated Property
Cp,gas	490.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.5301176; 0.0000612]	Pa×s	[263.79; 528.34]	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			-1.87410e+01
Coefficient B			4.77627e+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.			263.79
Temperature range, max.			528.34
η	0.5301176	Pa×s	263.79	Calculated Property
η	0.0862924	Pa×s	293.18	Calculated Property
η	0.0195550	Pa×s	322.58	Calculated Property
η	0.0056784	Pa×s	351.97	Calculated Property
η	0.0019952	Pa×s	381.37	Calculated Property
η	0.0008142	Pa×s	410.76	Calculated Property
η	0.0003746	Pa×s	440.16	Calculated Property
η	0.0001899	Pa×s	469.55	Calculated Property
η	0.0001043	Pa×s	498.95	Calculated Property
η	0.0000612	Pa×s	528.34	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanol, 3,3'-oxybis-.

Sources

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

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