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

InChI

InChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-15-21-18(19)16-11-13-17(20-2)14-12-16/h16-17H,3-15H2,1-2H3

InChI Key

BINAGPMVIOPJMM-UHFFFAOYSA-N

Formula

C18H34O3

SMILES

CCCCCCCCCCOC(=O)C1CCC(OC)CC1

Molecular Weight¹

298.46

• 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°	40.84	kJ/mol	Joback Calculated Property
ΔvapH°	89.46	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.45		Relay (1.0) Calculated Property
logPoct/wat	4.876		Crippen Calculated Property
McVol	266.930	ml/mol	McGowan Calculated Property
Pc	1288.36	kPa	Joback Calculated Property
Inp	[2153.00; 2153.00]
Inp	2153.00		NIST
Inp	2153.00		NIST
Tboil	614.04	K	Relay (1.0) Calculated Property
Tc	815.57	K	Relay (1.0) Calculated Property
Tfus	285.58	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	[383.22; 966.31]	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			-2.22310e+01
Coefficient B			1.69144e+00
Coefficient C			-7.75400e-04
Coefficient D			7.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.22	J/mol×K	273.00	Calculated Property
Cp,gas	482.32	J/mol×K	353.78	Calculated Property
Cp,gas	572.32	J/mol×K	434.56	Calculated Property
Cp,gas	653.42	J/mol×K	515.33	Calculated Property
Cp,gas	725.88	J/mol×K	596.11	Calculated Property
Cp,gas	789.90	J/mol×K	676.89	Calculated Property
Cp,gas	845.73	J/mol×K	757.67	Calculated Property
Cp,gas	893.58	J/mol×K	838.44	Calculated Property
Cp,gas	933.70	J/mol×K	919.22	Calculated Property
Cp,gas	966.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021743; 0.0001311]	Pa×s	[360.32; 624.20]	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			-1.27743e+01
Coefficient B			2.39371e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			360.32
Temperature range, max.			624.20
η	0.0021743	Pa×s	360.32	Calculated Property
η	0.0013189	Pa×s	389.64	Calculated Property
η	0.0008580	Pa×s	418.96	Calculated Property
η	0.0005905	Pa×s	448.28	Calculated Property
η	0.0004254	Pa×s	477.60	Calculated Property
η	0.0003184	Pa×s	506.92	Calculated Property
η	0.0002459	Pa×s	536.24	Calculated Property
η	0.0001951	Pa×s	565.56	Calculated Property
η	0.0001584	Pa×s	594.88	Calculated Property
η	0.0001311	Pa×s	624.20	Calculated Property

Similar Compounds

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