Chemical Properties of 2,2-dimethylcyclohexane-1-carboxaldehyde

InChI

InChI=1S/C9H16O/c1-9(2)6-4-3-5-8(9)7-10/h7-8H,3-6H2,1-2H3

InChI Key

PRMCTXHFPWJOSP-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CC1(C)CCCCC1C=O

Molecular Weight¹

140.22

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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

Property	Value	Unit	Source
ΔfusH°	7.96	kJ/mol	Joback Calculated Property
logPoct/wat	2.402		Crippen Calculated Property
McVol	128.380	ml/mol	McGowan Calculated Property
Inp	[1005.00; 1005.00]
Inp	1005.00		NIST
Inp	1005.00		NIST
Tboil	463.56	K	Relay (1.0) Calculated Property
Tfus	278.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[161.54; 473.49]	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			-1.03550e+02
Coefficient B			1.22084e+00
Coefficient C			-1.01700e-03
Coefficient D			3.73200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.54	J/mol×K	273.00	Calculated Property
Cp,gas	217.59	J/mol×K	353.78	Calculated Property
Cp,gas	265.55	J/mol×K	434.56	Calculated Property
Cp,gas	306.58	J/mol×K	515.33	Calculated Property
Cp,gas	341.87	J/mol×K	596.11	Calculated Property
Cp,gas	372.60	J/mol×K	676.89	Calculated Property
Cp,gas	399.94	J/mol×K	757.67	Calculated Property
Cp,gas	425.09	J/mol×K	838.44	Calculated Property
Cp,gas	449.21	J/mol×K	919.22	Calculated Property
Cp,gas	473.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-dimethylcyclohexane-1-carboxaldehyde.

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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