Chemical Properties of Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 2-aminobenzoate (CAS 134-09-8)

InChI

InChI=1S/C17H25NO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10,18H2,1-3H3

InChI Key

SOXAGEOHPCXXIO-UHFFFAOYSA-N

Formula

C17H25NO2

SMILES

CC1CCC(C(C)C)C(OC(=O)c2ccccc2N)C1

Molecular Weight¹

275.39

CAS

134-09-8

Other Names

• Menthyl anthranilate
• Neo heliopan MA

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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°	33.46	kJ/mol	Joback Calculated Property
logPoct/wat	3.886		Crippen Calculated Property
McVol	233.190	ml/mol	McGowan Calculated Property
Inp	[2146.50; 2146.50]
Inp	2146.50		NIST
Inp	2146.50		NIST
Tboil	636.65	K	Relay (1.0) Calculated Property
Tfus	301.29	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, Log10 of Water solubility in mol/l 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	[314.22; 817.82]	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			-5.56800e+01
Coefficient B			1.56256e+00
Coefficient C			-7.87360e-04
Coefficient D			9.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.22	J/mol×K	273.00	Calculated Property
Cp,gas	402.93	J/mol×K	353.78	Calculated Property
Cp,gas	482.72	J/mol×K	434.56	Calculated Property
Cp,gas	553.91	J/mol×K	515.33	Calculated Property
Cp,gas	616.81	J/mol×K	596.11	Calculated Property
Cp,gas	671.73	J/mol×K	676.89	Calculated Property
Cp,gas	718.98	J/mol×K	757.67	Calculated Property
Cp,gas	758.87	J/mol×K	838.44	Calculated Property
Cp,gas	791.72	J/mol×K	919.22	Calculated Property
Cp,gas	817.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 2-aminobenzoate.

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

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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