Chemical Properties of Cyclopentylcarboxylic acid (CAS 3400-45-1)

InChI

InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)

InChI Key

JBDSSBMEKXHSJF-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

O=C(O)C1CCCC1

Molecular Weight¹

114.14

CAS

3400-45-1

Other Names

• Cyclopentanecarboxylic acid
• Cyclopentylmethanoic acid

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_boilr : Boiling point at reduced pressure (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, 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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[377.20; 389.50]	K	[1.50; 2.80]
Tboilr	377.20	K	1.50	NIST
Tboilr	389.50 ± 0.50	K	2.80	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.16; 322.95]	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			-5.84500e+01
Coefficient B			7.56300e-01
Coefficient C			-5.02600e-04
Coefficient D			1.27700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.16	J/mol×K	273.00	Calculated Property
Cp,gas	151.86	J/mol×K	353.78	Calculated Property
Cp,gas	185.77	J/mol×K	434.56	Calculated Property
Cp,gas	215.30	J/mol×K	515.33	Calculated Property
Cp,gas	240.84	J/mol×K	596.11	Calculated Property
Cp,gas	262.80	J/mol×K	676.89	Calculated Property
Cp,gas	281.59	J/mol×K	757.67	Calculated Property
Cp,gas	297.61	J/mol×K	838.44	Calculated Property
Cp,gas	311.26	J/mol×K	919.22	Calculated Property
Cp,gas	322.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019215; 0.0003753]	Pa×s	[328.88; 502.36]	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			-1.09835e+01
Coefficient B			1.55524e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			328.88
Temperature range, max.			502.36
η	0.0019215	Pa×s	328.88	Calculated Property
η	0.0014789	Pa×s	348.16	Calculated Property
η	0.0011699	Pa×s	367.43	Calculated Property
η	0.0009474	Pa×s	386.71	Calculated Property
η	0.0007827	Pa×s	405.98	Calculated Property
η	0.0006580	Pa×s	425.26	Calculated Property
η	0.0005615	Pa×s	444.53	Calculated Property
η	0.0004855	Pa×s	463.81	Calculated Property
η	0.0004247	Pa×s	483.08	Calculated Property
η	0.0003753	Pa×s	502.36	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentylcarboxylic acid.

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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