Chemical Properties of Succinic acid, 3-methylbut-2-yl (2-chlorocyclohexyl)methyl ester

InChI

InChI=1S/C16H27ClO4/c1-11(2)12(3)21-16(19)9-8-15(18)20-10-13-6-4-5-7-14(13)17/h11-14H,4-10H2,1-3H3

InChI Key

ZCGQEJODSGNIFP-UHFFFAOYSA-N

Formula

C16H27ClO4

SMILES

CC(C)C(C)OC(=O)CCC(=O)OCC1CCCCC1Cl

Molecular Weight¹

318.84

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.99	kJ/mol	Joback Calculated Property
logPoct/wat	3.695		Crippen Calculated Property
McVol	252.560	ml/mol	McGowan Calculated Property
Inp	[2199.00; 2199.00]
Inp	2199.00		NIST
Inp	2199.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[354.50; 862.08]	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			-1.09770e+01
Coefficient B			1.52846e+00
Coefficient C			-7.09800e-04
Coefficient D			5.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.50	J/mol×K	273.00	Calculated Property
Cp,gas	443.33	J/mol×K	353.78	Calculated Property
Cp,gas	523.65	J/mol×K	434.56	Calculated Property
Cp,gas	595.63	J/mol×K	515.33	Calculated Property
Cp,gas	659.45	J/mol×K	596.11	Calculated Property
Cp,gas	715.28	J/mol×K	676.89	Calculated Property
Cp,gas	763.28	J/mol×K	757.67	Calculated Property
Cp,gas	803.63	J/mol×K	838.44	Calculated Property
Cp,gas	836.51	J/mol×K	919.22	Calculated Property
Cp,gas	862.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035128; 0.0001119]	Pa×s	[357.80; 654.50]	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			-1.32533e+01
Coefficient B			2.71998e+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.			357.80
Temperature range, max.			654.50
η	0.0035128	Pa×s	357.80	Calculated Property
η	0.0018498	Pa×s	390.77	Calculated Property
η	0.0010763	Pa×s	423.73	Calculated Property
η	0.0006772	Pa×s	456.70	Calculated Property
η	0.0004535	Pa×s	489.66	Calculated Property
η	0.0003194	Pa×s	522.63	Calculated Property
η	0.0002346	Pa×s	555.60	Calculated Property
η	0.0001783	Pa×s	588.56	Calculated Property
η	0.0001396	Pa×s	621.53	Calculated Property
η	0.0001119	Pa×s	654.50	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl (2-chlorocyclohexyl)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

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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