Chemical Properties of Carbonic acid, neopentyl cyclohexylmethyl ester

InChI

InChI=1S/C13H24O3/c1-13(2,3)10-16-12(14)15-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3

InChI Key

JHYJFXWJFIIVJX-UHFFFAOYSA-N

Formula

C13H24O3

SMILES

CC(C)(C)COC(=O)OCC1CCCCC1

Molecular Weight¹

228.33

• 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).
• 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°	19.40	kJ/mol	Joback Calculated Property
logPoct/wat	3.766		Crippen Calculated Property
McVol	196.480	ml/mol	McGowan Calculated Property
Inp	[1514.00; 1514.00]
Inp	1514.00		NIST
Inp	1514.00		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, 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	[273.42; 703.16]	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			-4.80980e+01
Coefficient B			1.36876e+00
Coefficient C			-7.30600e-04
Coefficient D			1.13100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	273.42	J/mol×K	273.00	Calculated Property
Cp,gas	349.71	J/mol×K	353.78	Calculated Property
Cp,gas	418.02	J/mol×K	434.56	Calculated Property
Cp,gas	478.72	J/mol×K	515.33	Calculated Property
Cp,gas	532.18	J/mol×K	596.11	Calculated Property
Cp,gas	578.73	J/mol×K	676.89	Calculated Property
Cp,gas	618.75	J/mol×K	757.67	Calculated Property
Cp,gas	652.59	J/mol×K	838.44	Calculated Property
Cp,gas	680.61	J/mol×K	919.22	Calculated Property
Cp,gas	703.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047572; 0.0001519]	Pa×s	[310.63; 558.38]	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			-1.31102e+01
Coefficient B			2.41114e+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.			310.63
Temperature range, max.			558.38
η	0.0047572	Pa×s	310.63	Calculated Property
η	0.0025289	Pa×s	338.16	Calculated Property
η	0.0014785	Pa×s	365.68	Calculated Property
η	0.0009319	Pa×s	393.21	Calculated Property
η	0.0006239	Pa×s	420.74	Calculated Property
η	0.0004388	Pa×s	448.27	Calculated Property
η	0.0003215	Pa×s	475.79	Calculated Property
η	0.0002437	Pa×s	503.32	Calculated Property
η	0.0001901	Pa×s	530.85	Calculated Property
η	0.0001519	Pa×s	558.38	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, neopentyl cyclohexylmethyl 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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