Chemical Properties of 1,2-Cyclopentanediol, diacetate, trans-

InChI

InChI=1S/C9H14O4/c1-6(10)12-8-4-3-5-9(8)13-7(2)11/h8-9H,3-5H2,1-2H3/t8-,9-/m0/s1

InChI Key

BXAYTJKZGSJCRS-IUCAKERBSA-N

Formula

C9H14O4

SMILES

CC(=O)O[C@H]1CCC[C@@H]1OC(C)=O

Molecular Weight¹

186.21

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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	[198.12; 489.82]	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			-9.02000e+00
Coefficient B			8.54440e-01
Coefficient C			-3.48600e-04
Coefficient D			-7.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.12	J/mol×K	273.00	Calculated Property
Cp,gas	249.32	J/mol×K	353.78	Calculated Property
Cp,gas	295.88	J/mol×K	434.56	Calculated Property
Cp,gas	337.77	J/mol×K	515.33	Calculated Property
Cp,gas	374.96	J/mol×K	596.11	Calculated Property
Cp,gas	407.45	J/mol×K	676.89	Calculated Property
Cp,gas	435.20	J/mol×K	757.67	Calculated Property
Cp,gas	458.19	J/mol×K	838.44	Calculated Property
Cp,gas	476.41	J/mol×K	919.22	Calculated Property
Cp,gas	489.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038038; 0.0002956]	Pa×s	[282.51; 514.51]	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			-1.12371e+01
Coefficient B			1.60053e+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.			282.51
Temperature range, max.			514.51
η	0.0038038	Pa×s	282.51	Calculated Property
η	0.0023686	Pa×s	308.29	Calculated Property
η	0.0015867	Pa×s	334.07	Calculated Property
η	0.0011258	Pa×s	359.84	Calculated Property
η	0.0008362	Pa×s	385.62	Calculated Property
η	0.0006447	Pa×s	411.40	Calculated Property
η	0.0005126	Pa×s	437.18	Calculated Property
η	0.0004180	Pa×s	462.95	Calculated Property
η	0.0003484	Pa×s	488.73	Calculated Property
η	0.0002956	Pa×s	514.51	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclopentanediol, diacetate, trans-.

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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