Chemical Properties of Succinic acid, hept-2-yl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C18H25ClO5/c1-4-5-6-7-13(2)23-17(20)10-11-18(21)24-15-9-8-14(19)12-16(15)22-3/h8-9,12-13H,4-7,10-11H2,1-3H3

InChI Key

WOWIFMOTLZOFMR-UHFFFAOYSA-N

Formula

C18H25ClO5

SMILES

CCCCCC(C)OC(=O)CCC(=O)Oc1ccc(Cl)cc1OC

Molecular Weight¹

356.84

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.24	kJ/mol	Joback Calculated Property
logPoct/wat	4.546		Crippen Calculated Property
McVol	273.710	ml/mol	McGowan Calculated Property
Inp	[2444.00; 2444.00]
Inp	2444.00		NIST
Inp	2444.00		NIST
Tboil	628.38	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	[396.34; 866.89]	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			6.87460e+01
Coefficient B			1.35586e+00
Coefficient C			-5.75920e-04
Coefficient D			1.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	396.34	J/mol×K	273.00	Calculated Property
Cp,gas	477.14	J/mol×K	353.78	Calculated Property
Cp,gas	550.68	J/mol×K	434.56	Calculated Property
Cp,gas	617.01	J/mol×K	515.33	Calculated Property
Cp,gas	676.19	J/mol×K	596.11	Calculated Property
Cp,gas	728.28	J/mol×K	676.89	Calculated Property
Cp,gas	773.34	J/mol×K	757.67	Calculated Property
Cp,gas	811.42	J/mol×K	838.44	Calculated Property
Cp,gas	842.58	J/mol×K	919.22	Calculated Property
Cp,gas	866.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005810; 0.0000582]	Pa×s	[465.89; 718.65]	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			-1.39907e+01
Coefficient B			3.04689e+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.			465.89
Temperature range, max.			718.65
η	0.0005810	Pa×s	465.89	Calculated Property
η	0.0004006	Pa×s	493.97	Calculated Property
η	0.0002875	Pa×s	522.06	Calculated Property
η	0.0002134	Pa×s	550.14	Calculated Property
η	0.0001631	Pa×s	578.23	Calculated Property
η	0.0001278	Pa×s	606.31	Calculated Property
η	0.0001023	Pa×s	634.40	Calculated Property
η	0.0000834	Pa×s	662.48	Calculated Property
η	0.0000692	Pa×s	690.56	Calculated Property
η	0.0000582	Pa×s	718.65	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-2-yl 4-chloro-2-methoxyphenyl 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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