Chemical Properties of Cyclopentanol, 2,4,4-trimethyl- (CAS 56470-83-8)

InChI

InChI=1S/C8H16O/c1-6-4-8(2,3)5-7(6)9/h6-7,9H,4-5H2,1-3H3

InChI Key

QIXDCVATINBRLV-UHFFFAOYSA-N

Formula

C8H16O

SMILES

CC1CC(C)(C)CC1O

Molecular Weight¹

128.21

CAS

56470-83-8

Other Names

• 2,4,4-Trimethylcyclopentanol

• 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_p : 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, 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	[155.07; 454.67]	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			-9.76900e+01
Coefficient B			1.16846e+00
Coefficient C			-9.91000e-04
Coefficient D			3.74900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.07	J/mol×K	273.00	Calculated Property
Cp,gas	208.25	J/mol×K	353.78	Calculated Property
Cp,gas	253.70	J/mol×K	434.56	Calculated Property
Cp,gas	292.59	J/mol×K	515.33	Calculated Property
Cp,gas	326.11	J/mol×K	596.11	Calculated Property
Cp,gas	355.44	J/mol×K	676.89	Calculated Property
Cp,gas	381.78	J/mol×K	757.67	Calculated Property
Cp,gas	406.31	J/mol×K	838.44	Calculated Property
Cp,gas	430.21	J/mol×K	919.22	Calculated Property
Cp,gas	454.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanol, 2,4,4-trimethyl-.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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