Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl pentadecyl ester

InChI

InChI=1S/C30H56O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-23-34-29(31)27-19-16-17-20-28(27)30(32)35-25-22-26(2)21-24-33-3/h26-28H,4-25H2,1-3H3

InChI Key

RHGLNHKVMWYFDL-UHFFFAOYSA-N

Formula

C30H56O5

SMILES

CCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCC(C)CCOC

Molecular Weight¹

496.76

• 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).
• 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°	72.76	kJ/mol	Joback Calculated Property
log10WS	-7.26		Relay (1.0) Calculated Property
logPoct/wat	8.033		Crippen Calculated Property
McVol	443.450	ml/mol	McGowan Calculated Property
Inp	[3393.00; 3393.00]
Inp	3393.00		NIST
Inp	3393.00		NIST
Tboil	699.12	K	Relay (1.0) Calculated Property
Tfus	299.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[653.81; 1594.05]	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			-9.41200e+00
Coefficient B			2.78256e+00
Coefficient C			-1.33680e-03
Coefficient D			1.57700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	653.81	J/mol×K	273.00	Calculated Property
Cp,gas	814.67	J/mol×K	353.78	Calculated Property
Cp,gas	960.27	J/mol×K	434.56	Calculated Property
Cp,gas	1091.10	J/mol×K	515.33	Calculated Property
Cp,gas	1207.68	J/mol×K	596.11	Calculated Property
Cp,gas	1310.49	J/mol×K	676.89	Calculated Property
Cp,gas	1400.03	J/mol×K	757.67	Calculated Property
Cp,gas	1476.81	J/mol×K	838.44	Calculated Property
Cp,gas	1541.31	J/mol×K	919.22	Calculated Property
Cp,gas	1594.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003363; 0.0000142]	Pa×s	[522.89; 900.37]	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			-1.55539e+01
Coefficient B			3.95117e+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.			522.89
Temperature range, max.			900.37
η	0.0003363	Pa×s	522.89	Calculated Property
η	0.0001919	Pa×s	564.83	Calculated Property
η	0.0001183	Pa×s	606.78	Calculated Property
η	0.0000777	Pa×s	648.72	Calculated Property
η	0.0000537	Pa×s	690.66	Calculated Property
η	0.0000387	Pa×s	732.60	Calculated Property
η	0.0000289	Pa×s	774.55	Calculated Property
η	0.0000222	Pa×s	816.49	Calculated Property
η	0.0000175	Pa×s	858.43	Calculated Property
η	0.0000142	Pa×s	900.37	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl pentadecyl 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

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