Chemical Properties of Cyclohexanol, 2-methyl-5-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«alpha»)- (CAS 5256-66-6)

InChI

InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12-/m1/s1

InChI Key

JAKFDYGDDRCJLY-YUSALJHKSA-N

Formula

C12H22O2

SMILES

CC(=O)OC1CC(C(C)C)CCC1C

Molecular Weight¹

198.30

CAS

5256-66-6

Other Names

• Carvomenthyl acetate
• (1«alpha»,2«beta»,5«alpha»)-5-(isopropyl)-2-methylcyclohexyl acetate

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : 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°	20.08	kJ/mol	Joback Calculated Property
logPoct/wat	3.010		Crippen Calculated Property
McVol	176.520	ml/mol	McGowan Calculated Property
Inp	[1278.00; 1281.00]
Inp	1281.00		NIST
Inp	1278.00		NIST
Inp	1278.00		NIST
Inp	1278.00		NIST
I	[1639.00; 1641.00]
I	1639.00		NIST
I	1641.00		NIST
I	1639.00		NIST
I	1641.00		NIST
Tboil	497.57	K	Relay (1.0) Calculated Property
Tfus	229.84	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[456.30; 563.88]	J/mol×K	[560.02; 763.29]
Cp,gas	456.30	J/mol×K	560.02	Joback Calculated Property
Cp,gas	476.71	J/mol×K	593.90	Joback Calculated Property
Cp,gas	496.13	J/mol×K	627.78	Joback Calculated Property
Cp,gas	514.55	J/mol×K	661.66	Joback Calculated Property
Cp,gas	531.98	J/mol×K	695.54	Joback Calculated Property
Cp,gas	548.42	J/mol×K	729.41	Joback Calculated Property
Cp,gas	563.88	J/mol×K	763.29	Joback Calculated Property
η	[0.0002379; 0.0032505]	Pa×s	[281.06; 560.02]
η	0.0032505	Pa×s	281.06	Joback Calculated Property
η	0.0015430	Pa×s	327.55	Joback Calculated Property
η	0.0008815	Pa×s	374.05	Joback Calculated Property
η	0.0005700	Pa×s	420.54	Joback Calculated Property
η	0.0004019	Pa×s	467.03	Joback Calculated Property
η	0.0003020	Pa×s	513.53	Joback Calculated Property
η	0.0002379	Pa×s	560.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 2-methyl-5-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«alpha»)-.

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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