Chemical Properties of 1,3-Cyclopentanediol, cis- (CAS 16326-97-9)

InChI

InChI=1S/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2/t4-,5+

InChI Key

NUUPJBRGQCEZSI-SYDPRGILSA-N

Formula

C5H10O2

SMILES

OC1CCC(O)C1

Molecular Weight¹

102.13

CAS

16326-97-9

Other Names

• (Z)-1,3-Cyclopentanediol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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 Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[363.20; 378.20]	K	[0.10; 0.70]
Tboilr	363.20	K	0.10	NIST
Tboilr	378.20	K	0.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[105.59; 304.58]	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			-4.56200e+01
Coefficient B			6.52000e-01
Coefficient C			-3.81000e-04
Coefficient D			7.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	105.59	J/mol×K	273.00	Calculated Property
Cp,gas	140.86	J/mol×K	353.78	Calculated Property
Cp,gas	172.26	J/mol×K	434.56	Calculated Property
Cp,gas	200.03	J/mol×K	515.33	Calculated Property
Cp,gas	224.43	J/mol×K	596.11	Calculated Property
Cp,gas	245.71	J/mol×K	676.89	Calculated Property
Cp,gas	264.11	J/mol×K	757.67	Calculated Property
Cp,gas	279.89	J/mol×K	838.44	Calculated Property
Cp,gas	293.30	J/mol×K	919.22	Calculated Property
Cp,gas	304.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0881188; 0.0001970]	Pa×s	[274.41; 482.46]	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			-1.65817e+01
Coefficient B			3.88363e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			274.41
Temperature range, max.			482.46
η	0.0881188	Pa×s	274.41	Calculated Property
η	0.0293437	Pa×s	297.53	Calculated Property
η	0.0114503	Pa×s	320.64	Calculated Property
η	0.0050709	Pa×s	343.76	Calculated Property
η	0.0024885	Pa×s	366.88	Calculated Property
η	0.0013287	Pa×s	389.99	Calculated Property
η	0.0007611	Pa×s	413.11	Calculated Property
η	0.0004625	Pa×s	436.23	Calculated Property
η	0.0002955	Pa×s	459.34	Calculated Property
η	0.0001970	Pa×s	482.46	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclopentanediol, cis-.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.