Chemical Properties of 1,2-Cyclopentanediol, 3-methyl- (CAS 27583-37-5)

InChI

InChI=1S/C6H12O2/c1-4-2-3-5(7)6(4)8/h4-8H,2-3H2,1H3

InChI Key

KANFKJUPLALTDB-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CC1CCC(O)C1O

Molecular Weight¹

116.16

CAS

27583-37-5

Other Names

• 3-Methylcyclopentan-1,2-diol
• 3-Methylcyclopentanediol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, 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	[129.07; 362.83]	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			-4.05900e+01
Coefficient B			7.20520e-01
Coefficient C			-3.80000e-04
Coefficient D			6.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.07	J/mol×K	273.00	Calculated Property
Cp,gas	169.54	J/mol×K	353.78	Calculated Property
Cp,gas	205.92	J/mol×K	434.56	Calculated Property
Cp,gas	238.41	J/mol×K	515.33	Calculated Property
Cp,gas	267.21	J/mol×K	596.11	Calculated Property
Cp,gas	292.52	J/mol×K	676.89	Calculated Property
Cp,gas	314.54	J/mol×K	757.67	Calculated Property
Cp,gas	333.46	J/mol×K	838.44	Calculated Property
Cp,gas	349.49	J/mol×K	919.22	Calculated Property
Cp,gas	362.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0567325; 0.0001899]	Pa×s	[281.44; 493.80]	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			-1.61230e+01
Coefficient B			3.73010e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			281.44
Temperature range, max.			493.80
η	0.0567325	Pa×s	281.44	Calculated Property
η	0.0203512	Pa×s	305.04	Calculated Property
η	0.0084583	Pa×s	328.63	Calculated Property
η	0.0039543	Pa×s	352.23	Calculated Property
η	0.0020338	Pa×s	375.82	Calculated Property
η	0.0011316	Pa×s	399.42	Calculated Property
η	0.0006721	Pa×s	423.01	Calculated Property
η	0.0004218	Pa×s	446.61	Calculated Property
η	0.0002774	Pa×s	470.20	Calculated Property
η	0.0001899	Pa×s	493.80	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclopentanediol, 3-methyl-.

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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