Chemical Properties of Succinic acid, hept-2-yl (2-methylcyclohex-1-en-1-yl)methyl ester

InChI

InChI=1S/C19H32O4/c1-4-5-6-10-16(3)23-19(21)13-12-18(20)22-14-17-11-8-7-9-15(17)2/h16H,4-14H2,1-3H3

InChI Key

SCAYWPZKXOXFEK-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

CCCCCC(C)OC(=O)CCC(=O)OCC1=C(C)CCCC1

Molecular Weight¹

324.45

• 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°	41.39	kJ/mol	Joback Calculated Property
logPoct/wat	4.712		Crippen Calculated Property
McVol	278.290	ml/mol	McGowan Calculated Property
Inp	[2301.00; 2301.00]
Inp	2301.00		NIST
Inp	2301.00		NIST
Tboil	613.21	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	[399.15; 957.35]	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			-4.13000e-01
Coefficient B			1.67876e+00
Coefficient C			-8.13400e-04
Coefficient D			9.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	399.15	J/mol×K	273.00	Calculated Property
Cp,gas	495.78	J/mol×K	353.78	Calculated Property
Cp,gas	583.08	J/mol×K	434.56	Calculated Property
Cp,gas	661.34	J/mol×K	515.33	Calculated Property
Cp,gas	730.85	J/mol×K	596.11	Calculated Property
Cp,gas	791.90	J/mol×K	676.89	Calculated Property
Cp,gas	844.78	J/mol×K	757.67	Calculated Property
Cp,gas	889.78	J/mol×K	838.44	Calculated Property
Cp,gas	927.21	J/mol×K	919.22	Calculated Property
Cp,gas	957.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014116; 0.0000697]	Pa×s	[410.97; 685.06]	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			-1.40828e+01
Coefficient B			3.09042e+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.			410.97
Temperature range, max.			685.06
η	0.0014116	Pa×s	410.97	Calculated Property
η	0.0008402	Pa×s	441.42	Calculated Property
η	0.0005348	Pa×s	471.88	Calculated Property
η	0.0003595	Pa×s	502.33	Calculated Property
η	0.0002529	Pa×s	532.79	Calculated Property
η	0.0001848	Pa×s	563.24	Calculated Property
η	0.0001395	Pa×s	593.69	Calculated Property
η	0.0001082	Pa×s	624.15	Calculated Property
η	0.0000859	Pa×s	654.60	Calculated Property
η	0.0000697	Pa×s	685.06	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-2-yl (2-methylcyclohex-1-en-1-yl)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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