Chemical Properties of Cyclohexanecarboxylic acid, 4-methoxy-, heptyl ester

InChI

InChI=1S/C15H28O3/c1-3-4-5-6-7-12-18-15(16)13-8-10-14(17-2)11-9-13/h13-14H,3-12H2,1-2H3

InChI Key

MHTOVMNNTKKLEZ-UHFFFAOYSA-N

Formula

C15H28O3

SMILES

CCCCCCCOC(=O)C1CCC(OC)CC1

Molecular Weight¹

256.38

• 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).
• Δ_vapH° : Enthalpy of vaporization 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_c : Critical 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°	33.07	kJ/mol	Joback Calculated Property
ΔvapH°	77.41	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.30		Relay (1.0) Calculated Property
logPoct/wat	3.705		Crippen Calculated Property
McVol	224.660	ml/mol	McGowan Calculated Property
Pc	1602.56	kPa	Joback Calculated Property
Inp	[1843.00; 1843.00]
Inp	1843.00		NIST
Inp	1843.00		NIST
Tboil	583.63	K	Relay (1.0) Calculated Property
Tc	784.32	K	Relay (1.0) Calculated Property
Tfus	268.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation 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	[319.58; 811.54]	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			-1.95040e+01
Coefficient B			1.40644e+00
Coefficient C			-6.12200e-04
Coefficient D			3.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	319.58	J/mol×K	273.00	Calculated Property
Cp,gas	403.07	J/mol×K	353.78	Calculated Property
Cp,gas	479.09	J/mol×K	434.56	Calculated Property
Cp,gas	547.74	J/mol×K	515.33	Calculated Property
Cp,gas	609.14	J/mol×K	596.11	Calculated Property
Cp,gas	663.42	J/mol×K	676.89	Calculated Property
Cp,gas	710.68	J/mol×K	757.67	Calculated Property
Cp,gas	751.04	J/mol×K	838.44	Calculated Property
Cp,gas	784.62	J/mol×K	919.22	Calculated Property
Cp,gas	811.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028419; 0.0001697]	Pa×s	[326.51; 578.76]	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			-1.23293e+01
Coefficient B			2.11123e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			326.51
Temperature range, max.			578.76
η	0.0028419	Pa×s	326.51	Calculated Property
η	0.0017046	Pa×s	354.54	Calculated Property
η	0.0011019	Pa×s	382.57	Calculated Property
η	0.0007560	Pa×s	410.59	Calculated Property
η	0.0005443	Pa×s	438.62	Calculated Property
η	0.0004077	Pa×s	466.65	Calculated Property
η	0.0003155	Pa×s	494.68	Calculated Property
η	0.0002509	Pa×s	522.71	Calculated Property
η	0.0002043	Pa×s	550.74	Calculated Property
η	0.0001697	Pa×s	578.76	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-, heptyl 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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