Chemical Properties of Phthalic acid, di(cycloheptyl) ester

InChI

InChI=1S/C22H30O4/c23-21(25-17-11-5-1-2-6-12-17)19-15-9-10-16-20(19)22(24)26-18-13-7-3-4-8-14-18/h9-10,15-18H,1-8,11-14H2

InChI Key

GULQIIBSEHFYOM-UHFFFAOYSA-N

Formula

C22H30O4

SMILES

O=C(OC1CCCCCC1)c1ccccc1C(=O)OC1CCCCCC1

Molecular Weight¹

358.47

Other Names

• Dicycloheptyl phthalate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[364.13; 1022.69]	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			-1.27350e+02
Coefficient B			2.07080e+00
Coefficient C			-1.01716e-03
Coefficient D			9.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.13	J/mol×K	273.00	Calculated Property
Cp,gas	482.22	J/mol×K	353.78	Calculated Property
Cp,gas	588.36	J/mol×K	434.56	Calculated Property
Cp,gas	682.87	J/mol×K	515.33	Calculated Property
Cp,gas	766.05	J/mol×K	596.11	Calculated Property
Cp,gas	838.21	J/mol×K	676.89	Calculated Property
Cp,gas	899.65	J/mol×K	757.67	Calculated Property
Cp,gas	950.67	J/mol×K	838.44	Calculated Property
Cp,gas	991.58	J/mol×K	919.22	Calculated Property
Cp,gas	1022.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007709; 0.0000262]	Pa×s	[469.02; 802.18]	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			-1.53101e+01
Coefficient B			3.81884e+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.			469.02
Temperature range, max.			802.18
η	0.0007709	Pa×s	469.02	Calculated Property
η	0.0004249	Pa×s	506.04	Calculated Property
η	0.0002540	Pa×s	543.06	Calculated Property
η	0.0001622	Pa×s	580.07	Calculated Property
η	0.0001093	Pa×s	617.09	Calculated Property
η	0.0000770	Pa×s	654.11	Calculated Property
η	0.0000563	Pa×s	691.13	Calculated Property
η	0.0000425	Pa×s	728.14	Calculated Property
η	0.0000330	Pa×s	765.16	Calculated Property
η	0.0000262	Pa×s	802.18	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, di(cycloheptyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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