Chemical Properties of Ethyl trans-3-t-butylcyclobutanecarboxylate (CAS 14924-52-8)

InChI

InChI=1S/C11H20O2/c1-5-13-10(12)8-6-9(7-8)11(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9-

InChI Key

NDKCMUOLZJVCTI-KYZUINATSA-N

Formula

C11H20O2

SMILES

CCOC(=O)C1CC(C(C)(C)C)C1

Molecular Weight¹

184.28

CAS

14924-52-8

• 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).
• 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, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[227.64; 584.58]	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			-5.55990e+01
Coefficient B			1.23468e+00
Coefficient C			-7.70200e-04
Coefficient D			1.75700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.64	J/mol×K	273.00	Calculated Property
Cp,gas	292.59	J/mol×K	353.78	Calculated Property
Cp,gas	349.91	J/mol×K	434.56	Calculated Property
Cp,gas	400.18	J/mol×K	515.33	Calculated Property
Cp,gas	443.94	J/mol×K	596.11	Calculated Property
Cp,gas	481.74	J/mol×K	676.89	Calculated Property
Cp,gas	514.16	J/mol×K	757.67	Calculated Property
Cp,gas	541.73	J/mol×K	838.44	Calculated Property
Cp,gas	565.02	J/mol×K	919.22	Calculated Property
Cp,gas	584.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040680; 0.0003548]	Pa×s	[268.66; 497.03]	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			-1.08135e+01
Coefficient B			1.42630e+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.			268.66
Temperature range, max.			497.03
η	0.0040680	Pa×s	268.66	Calculated Property
η	0.0025728	Pa×s	294.03	Calculated Property
η	0.0017500	Pa×s	319.41	Calculated Property
η	0.0012599	Pa×s	344.78	Calculated Property
η	0.0009488	Pa×s	370.16	Calculated Property
η	0.0007410	Pa×s	395.53	Calculated Property
η	0.0005962	Pa×s	420.91	Calculated Property
η	0.0004917	Pa×s	446.28	Calculated Property
η	0.0004141	Pa×s	471.66	Calculated Property
η	0.0003548	Pa×s	497.03	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl trans-3-t-butylcyclobutanecarboxylate.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.