Chemical Properties of Isophthalic acid, 3,4-dimethylcyclohexyl propyl ester

InChI

InChI=1S/C19H26O4/c1-4-10-22-18(20)15-6-5-7-16(12-15)19(21)23-17-9-8-13(2)14(3)11-17/h5-7,12-14,17H,4,8-11H2,1-3H3

InChI Key

BAJQPUFFJKFPLI-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

CCCOC(=O)c1cccc(C(=O)OC2CCC(C)C(C)C2)c1

Molecular Weight¹

318.41

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	41.33	kJ/mol	Joback Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	4.235		Crippen Calculated Property
McVol	258.830	ml/mol	McGowan Calculated Property
Pc	1505.81	kPa	Joback Calculated Property
Inp	[2466.00; 2466.00]
Inp	2466.00		NIST
Inp	2466.00		NIST
Tboil	641.11	K	Relay (1.0) Calculated Property
Tfus	291.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[352.92; 892.60]	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			-3.68980e+01
Coefficient B			1.62996e+00
Coefficient C			-7.54960e-04
Coefficient D			5.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	352.92	J/mol×K	273.00	Calculated Property
Cp,gas	447.67	J/mol×K	353.78	Calculated Property
Cp,gas	533.32	J/mol×K	434.56	Calculated Property
Cp,gas	610.04	J/mol×K	515.33	Calculated Property
Cp,gas	678.01	J/mol×K	596.11	Calculated Property
Cp,gas	737.40	J/mol×K	676.89	Calculated Property
Cp,gas	788.38	J/mol×K	757.67	Calculated Property
Cp,gas	831.13	J/mol×K	838.44	Calculated Property
Cp,gas	865.81	J/mol×K	919.22	Calculated Property
Cp,gas	892.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012174; 0.0001201]	Pa×s	[426.39; 706.76]	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			-1.25507e+01
Coefficient B			2.48997e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			426.39
Temperature range, max.			706.76
η	0.0012174	Pa×s	426.39	Calculated Property
η	0.0008180	Pa×s	457.54	Calculated Property
η	0.0005783	Pa×s	488.69	Calculated Property
η	0.0004261	Pa×s	519.85	Calculated Property
η	0.0003250	Pa×s	551.00	Calculated Property
η	0.0002552	Pa×s	582.15	Calculated Property
η	0.0002054	Pa×s	613.30	Calculated Property
η	0.0001688	Pa×s	644.45	Calculated Property
η	0.0001412	Pa×s	675.61	Calculated Property
η	0.0001201	Pa×s	706.76	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3,4-dimethylcyclohexyl propyl ester.

Sources

• Cheméo Relay (1.0)
• 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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