Chemical Properties of Carbonic acid, neopentyl 3,5-dimethylphenyl ester

InChI

InChI=1S/C14H20O3/c1-10-6-11(2)8-12(7-10)17-13(15)16-9-14(3,4)5/h6-8H,9H2,1-5H3

InChI Key

FKHNWXTZUPREQT-UHFFFAOYSA-N

Formula

C14H20O3

SMILES

Cc1cc(C)cc(OC(=O)OCC(C)(C)C)c1

Molecular Weight¹

236.31

• 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).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.42	kJ/mol	Joback Calculated Property
log10WS	-4.86		Relay (1.0) Calculated Property
logPoct/wat	3.865		Crippen Calculated Property
McVol	197.670	ml/mol	McGowan Calculated Property
Inp	[1622.00; 1622.00]
Inp	1622.00		NIST
Inp	1622.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[280.60; 645.07]	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			1.12910e+01
Coefficient B			1.14380e+00
Coefficient C			-6.01120e-04
Coefficient D			9.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.60	J/mol×K	273.00	Calculated Property
Cp,gas	344.74	J/mol×K	353.78	Calculated Property
Cp,gas	402.30	J/mol×K	434.56	Calculated Property
Cp,gas	453.56	J/mol×K	515.33	Calculated Property
Cp,gas	498.81	J/mol×K	596.11	Calculated Property
Cp,gas	538.35	J/mol×K	676.89	Calculated Property
Cp,gas	572.46	J/mol×K	757.67	Calculated Property
Cp,gas	601.42	J/mol×K	838.44	Calculated Property
Cp,gas	625.53	J/mol×K	919.22	Calculated Property
Cp,gas	645.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013218; 0.0001202]	Pa×s	[365.98; 589.90]	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			-1.29459e+01
Coefficient B			2.31193e+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.			365.98
Temperature range, max.			589.90
η	0.0013218	Pa×s	365.98	Calculated Property
η	0.0008842	Pa×s	390.86	Calculated Property
η	0.0006206	Pa×s	415.74	Calculated Property
η	0.0004533	Pa×s	440.62	Calculated Property
η	0.0003425	Pa×s	465.50	Calculated Property
η	0.0002662	Pa×s	490.38	Calculated Property
η	0.0002120	Pa×s	515.26	Calculated Property
η	0.0001724	Pa×s	540.14	Calculated Property
η	0.0001428	Pa×s	565.02	Calculated Property
η	0.0001202	Pa×s	589.90	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, neopentyl 3,5-dimethylphenyl 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

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