Chemical Properties of Glycerol, 1-tert-butyl ether

InChI

InChI=1S/C7H16O3/c1-7(2,3)10-5-6(9)4-8/h6,8-9H,4-5H2,1-3H3

InChI Key

JPWDLYMEUNBLIR-UHFFFAOYSA-N

Formula

C7H16O3

SMILES

CC(C)(C)OCC(O)CO

Molecular Weight¹

148.20

• 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).
• 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
ΔfH°gas	-670.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.31	kJ/mol	Joback Calculated Property
ΔvapH°	80.67	kJ/mol	Relay (1.0) Calculated Property
log10WS	0.21		Relay (1.0) Calculated Property
logPoct/wat	0.155		Crippen Calculated Property
McVol	127.100	ml/mol	McGowan Calculated Property
Pc	3476.55	kPa	Joback Calculated Property
Inp	[1094.00; 1094.00]
Inp	1094.00		NIST
Inp	1094.00		NIST
Tboil	501.77	K	Relay (1.0) Calculated Property
Tc	675.20	K	Relay (1.0) Calculated Property
Tfus	272.19	K	Relay (1.0) Calculated Property
Vc	0.465	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[192.61; 438.31]	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			6.45200e+00
Coefficient B			8.05360e-01
Coefficient C			-4.81800e-04
Coefficient D			1.08300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.61	J/mol×K	273.00	Calculated Property
Cp,gas	235.86	J/mol×K	353.78	Calculated Property
Cp,gas	274.33	J/mol×K	434.56	Calculated Property
Cp,gas	308.35	J/mol×K	515.33	Calculated Property
Cp,gas	338.27	J/mol×K	596.11	Calculated Property
Cp,gas	364.43	J/mol×K	676.89	Calculated Property
Cp,gas	387.17	J/mol×K	757.67	Calculated Property
Cp,gas	406.84	J/mol×K	838.44	Calculated Property
Cp,gas	423.77	J/mol×K	919.22	Calculated Property
Cp,gas	438.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0651812; 0.0000865]	Pa×s	[299.94; 511.11]	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			-1.87644e+01
Coefficient B			4.80919e+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.			299.94
Temperature range, max.			511.11
η	0.0651812	Pa×s	299.94	Calculated Property
η	0.0203661	Pa×s	323.40	Calculated Property
η	0.0074481	Pa×s	346.87	Calculated Property
η	0.0030941	Pa×s	370.33	Calculated Property
η	0.0014272	Pa×s	393.80	Calculated Property
η	0.0007182	Pa×s	417.26	Calculated Property
η	0.0003888	Pa×s	440.72	Calculated Property
η	0.0002240	Pa×s	464.19	Calculated Property
η	0.0001361	Pa×s	487.65	Calculated Property
η	0.0000865	Pa×s	511.11	Calculated Property

Similar Compounds

Find more compounds similar to Glycerol, 1-tert-butyl ether.

Sources

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

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