Chemical Properties of Carbonic acid, neopentyl cyclohexyl ester

InChI

InChI=1S/C12H22O3/c1-12(2,3)9-14-11(13)15-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3

InChI Key

DZJZBIPEXUAHJX-UHFFFAOYSA-N

Formula

C12H22O3

SMILES

CC(C)(C)COC(=O)OC1CCCCC1

Molecular Weight¹

214.31

• 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).
• I_np : Non-polar retention indices.
• 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 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	[252.21; 651.57]	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			-4.71890e+01
Coefficient B			1.27376e+00
Coefficient C			-6.76200e-04
Coefficient D			1.01200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.21	J/mol×K	273.00	Calculated Property
Cp,gas	323.29	J/mol×K	353.78	Calculated Property
Cp,gas	386.94	J/mol×K	434.56	Calculated Property
Cp,gas	443.49	J/mol×K	515.33	Calculated Property
Cp,gas	493.26	J/mol×K	596.11	Calculated Property
Cp,gas	536.57	J/mol×K	676.89	Calculated Property
Cp,gas	573.73	J/mol×K	757.67	Calculated Property
Cp,gas	605.08	J/mol×K	838.44	Calculated Property
Cp,gas	630.91	J/mol×K	919.22	Calculated Property
Cp,gas	651.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053278; 0.0001633]	Pa×s	[299.36; 544.55]	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			-1.29746e+01
Coefficient B			2.31698e+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.			299.36
Temperature range, max.			544.55
η	0.0053278	Pa×s	299.36	Calculated Property
η	0.0027936	Pa×s	326.60	Calculated Property
η	0.0016179	Pa×s	353.85	Calculated Property
η	0.0010131	Pa×s	381.09	Calculated Property
η	0.0006753	Pa×s	408.33	Calculated Property
η	0.0004735	Pa×s	435.58	Calculated Property
η	0.0003462	Pa×s	462.82	Calculated Property
η	0.0002621	Pa×s	490.07	Calculated Property
η	0.0002043	Pa×s	517.31	Calculated Property
η	0.0001633	Pa×s	544.55	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, neopentyl cyclohexyl ester.

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.
These property values are available through the Cheméo API. A free account gives you an access key.