Chemical Properties of Cyclopentylsuccinic acid, methyl ester

InChI

InChI=1S/C11H18O4/c1-14-10(12)7-9(11(13)15-2)8-5-3-4-6-8/h8-9H,3-7H2,1-2H3

InChI Key

XTKLJYGBEOUDEA-UHFFFAOYSA-N

Formula

C11H18O4

SMILES

COC(=O)CC(C(=O)OC)C1CCCC1

Molecular Weight¹

214.26

• 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).
• 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
ΔfH°gas	-800.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.40	kJ/mol	Joback Calculated Property
ΔvapH°	75.19	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.529		Crippen Calculated Property
McVol	169.870	ml/mol	McGowan Calculated Property
Inp	[1490.00; 1490.00]
Inp	1490.00		NIST
Inp	1490.00		NIST
Tboil	516.89	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[237.97; 586.88]	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			-1.84590e+01
Coefficient B			1.07684e+00
Coefficient C			-5.16000e-04
Coefficient D			4.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.97	J/mol×K	273.00	Calculated Property
Cp,gas	299.89	J/mol×K	353.78	Calculated Property
Cp,gas	355.70	J/mol×K	434.56	Calculated Property
Cp,gas	405.53	J/mol×K	515.33	Calculated Property
Cp,gas	449.52	J/mol×K	596.11	Calculated Property
Cp,gas	487.82	J/mol×K	676.89	Calculated Property
Cp,gas	520.57	J/mol×K	757.67	Calculated Property
Cp,gas	547.90	J/mol×K	838.44	Calculated Property
Cp,gas	569.96	J/mol×K	919.22	Calculated Property
Cp,gas	586.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060414; 0.0002305]	Pa×s	[294.29; 548.42]	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			-1.21578e+01
Coefficient B			2.07436e+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.			294.29
Temperature range, max.			548.42
η	0.0060414	Pa×s	294.29	Calculated Property
η	0.0032594	Pa×s	322.53	Calculated Property
η	0.0019422	Pa×s	350.76	Calculated Property
η	0.0012501	Pa×s	379.00	Calculated Property
η	0.0008553	Pa×s	407.23	Calculated Property
η	0.0006147	Pa×s	435.47	Calculated Property
η	0.0004600	Pa×s	463.71	Calculated Property
η	0.0003558	Pa×s	491.94	Calculated Property
η	0.0002830	Pa×s	520.18	Calculated Property
η	0.0002305	Pa×s	548.42	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentylsuccinic acid, methyl ester.

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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