Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl pentyl ester

InChI

InChI=1S/C25H30O4/c1-2-3-11-18-28-24(26)21-15-7-8-16-22(21)25(27)29-23-17-10-9-14-20(23)19-12-5-4-6-13-19/h4-6,9-10,12-14,17,21-22H,2-3,7-8,11,15-16,18H2,1H3

InChI Key

VVKSMWGRGQRBCD-UHFFFAOYSA-N

Formula

C25H30O4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1-c1ccccc1

Molecular Weight¹

394.51

• 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°	49.84	kJ/mol	Joback Calculated Property
log10WS	-5.86		Relay (1.0) Calculated Property
logPoct/wat	5.799		Crippen Calculated Property
McVol	319.610	ml/mol	McGowan Calculated Property
Pc	1285.59	kPa	Joback Calculated Property
Inp	[2871.00; 2871.00]
Inp	2871.00		NIST
Inp	2871.00		NIST
Tboil	706.75	K	Relay (1.0) Calculated Property
Tfus	336.15	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	[420.68; 1076.96]	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			-8.21960e+01
Coefficient B			2.14752e+00
Coefficient C			-1.16796e-03
Coefficient D			1.79600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	420.68	J/mol×K	273.00	Calculated Property
Cp,gas	539.32	J/mol×K	353.78	Calculated Property
Cp,gas	645.20	J/mol×K	434.56	Calculated Property
Cp,gas	738.90	J/mol×K	515.33	Calculated Property
Cp,gas	820.98	J/mol×K	596.11	Calculated Property
Cp,gas	892.00	J/mol×K	676.89	Calculated Property
Cp,gas	952.55	J/mol×K	757.67	Calculated Property
Cp,gas	1003.18	J/mol×K	838.44	Calculated Property
Cp,gas	1044.46	J/mol×K	919.22	Calculated Property
Cp,gas	1076.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005080; 0.0000473]	Pa×s	[524.67; 837.47]	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			-1.39434e+01
Coefficient B			3.33604e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			524.67
Temperature range, max.			837.47
η	0.0005080	Pa×s	524.67	Calculated Property
η	0.0003422	Pa×s	559.43	Calculated Property
η	0.0002415	Pa×s	594.18	Calculated Property
η	0.0001770	Pa×s	628.94	Calculated Property
η	0.0001341	Pa×s	663.69	Calculated Property
η	0.0001044	Pa×s	698.45	Calculated Property
η	0.0000833	Pa×s	733.21	Calculated Property
η	0.0000678	Pa×s	767.96	Calculated Property
η	0.0000562	Pa×s	802.72	Calculated Property
η	0.0000473	Pa×s	837.47	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl pentyl ester.

Sources

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

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