Chemical Properties of Cyclobutanol, 3-tert-butyl-, cis- (CAS 20588-76-5)

InChI

InChI=1S/C8H16O/c1-8(2,3)6-4-7(9)5-6/h6-7,9H,4-5H2,1-3H3/t6-,7+

InChI Key

QTUJAHPEPCHIKC-KNVOCYPGSA-N

Formula

C8H16O

SMILES

CC(C)(C)C1CC(O)C1

Molecular Weight¹

128.21

CAS

20588-76-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[160.16; 440.37]	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			-7.29900e+01
Coefficient B			1.03846e+00
Coefficient C			-7.32000e-04
Coefficient D			2.06900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.16	J/mol×K	273.00	Calculated Property
Cp,gas	211.94	J/mol×K	353.78	Calculated Property
Cp,gas	257.03	J/mol×K	434.56	Calculated Property
Cp,gas	296.08	J/mol×K	515.33	Calculated Property
Cp,gas	329.76	J/mol×K	596.11	Calculated Property
Cp,gas	358.71	J/mol×K	676.89	Calculated Property
Cp,gas	383.60	J/mol×K	757.67	Calculated Property
Cp,gas	405.06	J/mol×K	838.44	Calculated Property
Cp,gas	423.77	J/mol×K	919.22	Calculated Property
Cp,gas	440.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0277371; 0.0003212]	Pa×s	[253.34; 466.22]	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			-1.33493e+01
Coefficient B			2.47369e+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.			253.34
Temperature range, max.			466.22
η	0.0277371	Pa×s	253.34	Calculated Property
η	0.0120488	Pa×s	276.99	Calculated Property
η	0.0059677	Pa×s	300.65	Calculated Property
η	0.0032748	Pa×s	324.30	Calculated Property
η	0.0019498	Pa×s	347.95	Calculated Property
η	0.0012401	Pa×s	371.61	Calculated Property
η	0.0008326	Pa×s	395.26	Calculated Property
η	0.0005848	Pa×s	418.91	Calculated Property
η	0.0004265	Pa×s	442.57	Calculated Property
η	0.0003212	Pa×s	466.22	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanol, 3-tert-butyl-, cis-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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