Chemical Properties of 2-Hydroxy-cyclopentanecarboxylic acid ethyl ester, cis

InChI

InChI=1S/C8H14O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1

InChI Key

IIFIGGNBUOZGAB-NKWVEPMBSA-N

Formula

C8H14O3

SMILES

CCOC(=O)[C@@H]1CCC[C@@H]1O

Molecular Weight¹

158.20

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.94	kJ/mol	Joback Calculated Property
logPoct/wat	0.710		Crippen Calculated Property
McVol	126.030	ml/mol	McGowan Calculated Property
Inp	[1098.00; 1162.00]
Inp	1162.00		NIST
Inp	1098.00		NIST
Tboil	503.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[173.07; 448.79]	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			-2.82290e+01
Coefficient B			8.48220e-01
Coefficient C			-4.19200e-04
Coefficient D			4.80000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.07	J/mol×K	273.00	Calculated Property
Cp,gas	221.51	J/mol×K	353.78	Calculated Property
Cp,gas	265.15	J/mol×K	434.56	Calculated Property
Cp,gas	304.13	J/mol×K	515.33	Calculated Property
Cp,gas	338.61	J/mol×K	596.11	Calculated Property
Cp,gas	368.74	J/mol×K	676.89	Calculated Property
Cp,gas	394.67	J/mol×K	757.67	Calculated Property
Cp,gas	416.56	J/mol×K	838.44	Calculated Property
Cp,gas	434.54	J/mol×K	919.22	Calculated Property
Cp,gas	448.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0152694; 0.0002163]	Pa×s	[289.73; 512.65]	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			-1.39712e+01
Coefficient B			2.83624e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			289.73
Temperature range, max.			512.65
η	0.0152694	Pa×s	289.73	Calculated Property
η	0.0070631	Pa×s	314.50	Calculated Property
η	0.0036565	Pa×s	339.27	Calculated Property
η	0.0020703	Pa×s	364.04	Calculated Property
η	0.0012603	Pa×s	388.80	Calculated Property
η	0.0008142	Pa×s	413.57	Calculated Property
η	0.0005527	Pa×s	438.34	Calculated Property
η	0.0003910	Pa×s	463.11	Calculated Property
η	0.0002865	Pa×s	487.88	Calculated Property
η	0.0002163	Pa×s	512.65	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-cyclopentanecarboxylic acid ethyl ester, cis.

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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