Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl propyl ester

InChI

InChI=1S/C18H24O5/c1-3-12-22-17(19)15-6-4-5-7-16(15)18(20)23-14-10-8-13(21-2)9-11-14/h8-11,15-16H,3-7,12H2,1-2H3

InChI Key

RLPBBLYCLFJANK-UHFFFAOYSA-N

Formula

C18H24O5

SMILES

CCCOC(=O)C1CCCCC1C(=O)Oc1ccc(OC)cc1

Molecular Weight¹

320.38

• 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°	38.86	kJ/mol	Joback Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
logPoct/wat	3.360		Crippen Calculated Property
McVol	250.610	ml/mol	McGowan Calculated Property
Inp	[2415.00; 2415.00]
Inp	2415.00		NIST
Inp	2415.00		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	[344.85; 852.85]	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			-1.64280e+01
Coefficient B			1.49824e+00
Coefficient C			-6.44960e-04
Coefficient D			1.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	344.85	J/mol×K	273.00	Calculated Property
Cp,gas	433.60	J/mol×K	353.78	Calculated Property
Cp,gas	514.16	J/mol×K	434.56	Calculated Property
Cp,gas	586.57	J/mol×K	515.33	Calculated Property
Cp,gas	650.89	J/mol×K	596.11	Calculated Property
Cp,gas	707.17	J/mol×K	676.89	Calculated Property
Cp,gas	755.45	J/mol×K	757.67	Calculated Property
Cp,gas	795.79	J/mol×K	838.44	Calculated Property
Cp,gas	828.24	J/mol×K	919.22	Calculated Property
Cp,gas	852.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009140; 0.0000855]	Pa×s	[441.59; 710.35]	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			-1.32605e+01
Coefficient B			2.76559e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			441.59
Temperature range, max.			710.35
η	0.0009140	Pa×s	441.59	Calculated Property
η	0.0006147	Pa×s	471.45	Calculated Property
η	0.0004334	Pa×s	501.31	Calculated Property
η	0.0003178	Pa×s	531.18	Calculated Property
η	0.0002409	Pa×s	561.04	Calculated Property
η	0.0001878	Pa×s	590.90	Calculated Property
η	0.0001499	Pa×s	620.76	Calculated Property
η	0.0001222	Pa×s	650.63	Calculated Property
η	0.0001014	Pa×s	680.49	Calculated Property
η	0.0000855	Pa×s	710.35	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl propyl 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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