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°	17.82	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.56; 641.97]	J/mol×K	[611.87; 817.77]
Cp,gas	538.56	J/mol×K	611.87	Joback Calculated Property
Cp,gas	558.59	J/mol×K	646.19	Joback Calculated Property
Cp,gas	577.47	J/mol×K	680.50	Joback Calculated Property
Cp,gas	595.22	J/mol×K	714.82	Joback Calculated Property
Cp,gas	611.87	J/mol×K	749.14	Joback Calculated Property
Cp,gas	627.44	J/mol×K	783.46	Joback Calculated Property
Cp,gas	641.97	J/mol×K	817.77	Joback Calculated Property
η	[0.0001266; 0.0028479]	Pa×s	[340.46; 611.87]
η	0.0028479	Pa×s	340.46	Joback Calculated Property
η	0.0012503	Pa×s	385.70	Joback Calculated Property
η	0.0006525	Pa×s	430.93	Joback Calculated Property
η	0.0003853	Pa×s	476.17	Joback Calculated Property
η	0.0002493	Pa×s	521.40	Joback Calculated Property
η	0.0001729	Pa×s	566.63	Joback Calculated Property
η	0.0001266	Pa×s	611.87	Joback 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

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.
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