Chemical Properties of Succinic acid, 3-chlorophenyl (2-methylcyclohex-1-en-1-yl)methyl ester

InChI

InChI=1S/C18H21ClO4/c1-13-5-2-3-6-14(13)12-22-17(20)9-10-18(21)23-16-8-4-7-15(19)11-16/h4,7-8,11H,2-3,5-6,9-10,12H2,1H3

InChI Key

WTZOLTGMYXRHAC-UHFFFAOYSA-N

Formula

C18H21ClO4

SMILES

CC1=C(COC(=O)CCC(=O)Oc2cccc(Cl)c2)CCCC1

Molecular Weight¹

336.81

• 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).
• IE : Ionization energy (eV).
• 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°	40.17	kJ/mol	Joback Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
logPoct/wat	4.459		Crippen Calculated Property
McVol	252.680	ml/mol	McGowan Calculated Property
Inp	[2634.00; 2634.00]
Inp	2634.00		NIST
Inp	2634.00		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, 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	[336.95; 791.92]	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			-4.53700e+00
Coefficient B			1.44622e+00
Coefficient C			-7.40360e-04
Coefficient D			9.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	336.95	J/mol×K	273.00	Calculated Property
Cp,gas	418.45	J/mol×K	353.78	Calculated Property
Cp,gas	491.55	J/mol×K	434.56	Calculated Property
Cp,gas	556.53	J/mol×K	515.33	Calculated Property
Cp,gas	613.68	J/mol×K	596.11	Calculated Property
Cp,gas	663.27	J/mol×K	676.89	Calculated Property
Cp,gas	705.61	J/mol×K	757.67	Calculated Property
Cp,gas	740.97	J/mol×K	838.44	Calculated Property
Cp,gas	769.65	J/mol×K	919.22	Calculated Property
Cp,gas	791.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006355; 0.0000686]	Pa×s	[483.56; 739.29]	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			-1.37965e+01
Coefficient B			3.11192e+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.			483.56
Temperature range, max.			739.29
η	0.0006355	Pa×s	483.56	Calculated Property
η	0.0004447	Pa×s	511.97	Calculated Property
η	0.0003230	Pa×s	540.39	Calculated Property
η	0.0002423	Pa×s	568.80	Calculated Property
η	0.0001867	Pa×s	597.22	Calculated Property
η	0.0001474	Pa×s	625.63	Calculated Property
η	0.0001187	Pa×s	654.05	Calculated Property
η	0.0000974	Pa×s	682.46	Calculated Property
η	0.0000812	Pa×s	710.88	Calculated Property
η	0.0000686	Pa×s	739.29	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-chlorophenyl (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

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