Chemical Properties of Succinic acid, cyclohexylmethyl 3-hexyl ester

InChI

InChI=1S/C17H30O4/c1-3-8-15(4-2)21-17(19)12-11-16(18)20-13-14-9-6-5-7-10-14/h14-15H,3-13H2,1-2H3

InChI Key

RBWOZNUDQLQIGM-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

CCCC(CC)OC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

298.42

• 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).
• 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°	36.84	kJ/mol	Joback Calculated Property
ΔvapH°	88.35	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.012		Crippen Calculated Property
McVol	254.410	ml/mol	McGowan Calculated Property
Inp	[2051.00; 2051.00]
Inp	2051.00		NIST
Inp	2051.00		NIST
Tboil	615.33	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, 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	[360.36; 898.21]	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			-2.90340e+01
Coefficient B			1.63724e+00
Coefficient C			-7.96000e-04
Coefficient D			8.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	360.36	J/mol×K	273.00	Calculated Property
Cp,gas	454.37	J/mol×K	353.78	Calculated Property
Cp,gas	539.18	J/mol×K	434.56	Calculated Property
Cp,gas	615.07	J/mol×K	515.33	Calculated Property
Cp,gas	682.30	J/mol×K	596.11	Calculated Property
Cp,gas	741.16	J/mol×K	676.89	Calculated Property
Cp,gas	791.90	J/mol×K	757.67	Calculated Property
Cp,gas	834.81	J/mol×K	838.44	Calculated Property
Cp,gas	870.16	J/mol×K	919.22	Calculated Property
Cp,gas	898.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034834; 0.0001033]	Pa×s	[358.39; 642.25]	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			-1.36195e+01
Coefficient B			2.85269e+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.			358.39
Temperature range, max.			642.25
η	0.0034834	Pa×s	358.39	Calculated Property
η	0.0018297	Pa×s	389.93	Calculated Property
η	0.0010583	Pa×s	421.47	Calculated Property
η	0.0006606	Pa×s	453.01	Calculated Property
η	0.0004385	Pa×s	484.55	Calculated Property
η	0.0003060	Pa×s	516.09	Calculated Property
η	0.0002226	Pa×s	547.63	Calculated Property
η	0.0001676	Pa×s	579.17	Calculated Property
η	0.0001299	Pa×s	610.71	Calculated Property
η	0.0001033	Pa×s	642.25	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 3-hexyl 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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