Chemical Properties of 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, (1S-cis)- (CAS 536-30-1)

InChI

InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9-11H,5-6H2,1-3H3/t9-,10-/m0/s1

InChI Key

FZXLDENMTYEVAD-UWVGGRQHSA-N

Formula

C10H18O

SMILES

CC1=CCC(C(C)C)CC1O

Molecular Weight¹

154.25

CAS

536-30-1

Other Names

• p-Menth-6-en-2-ol, (2S,4S)-(+)-
• Carvotanacetol, cis-
• cis-Carvotanacetol
• 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, (1S,5S)-
• 5-Isopropyl-2-methyl-2-cyclohexen-1-ol-, (1S-cis)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-281.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.96	kJ/mol	Joback Calculated Property
ΔvapH°	74.90	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.360		Crippen Calculated Property
McVol	142.470	ml/mol	McGowan Calculated Property
Inp	[1195.00; 1199.00]
Inp	1195.00		NIST
Inp	1199.00		NIST
Tboil	495.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[190.03; 511.84]	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			-4.01800e+01
Coefficient B			9.73860e-01
Coefficient C			-4.99640e-04
Coefficient D			7.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.03	J/mol×K	273.00	Calculated Property
Cp,gas	245.26	J/mol×K	353.78	Calculated Property
Cp,gas	295.05	J/mol×K	434.56	Calculated Property
Cp,gas	339.64	J/mol×K	515.33	Calculated Property
Cp,gas	379.28	J/mol×K	596.11	Calculated Property
Cp,gas	414.22	J/mol×K	676.89	Calculated Property
Cp,gas	444.70	J/mol×K	757.67	Calculated Property
Cp,gas	470.96	J/mol×K	838.44	Calculated Property
Cp,gas	493.26	J/mol×K	919.22	Calculated Property
Cp,gas	511.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0240696; 0.0001622]	Pa×s	[264.70; 512.21]	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			-1.40744e+01
Coefficient B			2.73901e+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.			264.70
Temperature range, max.			512.21
η	0.0240696	Pa×s	264.70	Calculated Property
η	0.0090890	Pa×s	292.20	Calculated Property
η	0.0040582	Pa×s	319.70	Calculated Property
η	0.0020588	Pa×s	347.20	Calculated Property
η	0.0011539	Pa×s	374.70	Calculated Property
η	0.0007000	Pa×s	402.21	Calculated Property
η	0.0004527	Pa×s	429.71	Calculated Property
η	0.0003085	Pa×s	457.21	Calculated Property
η	0.0002196	Pa×s	484.71	Calculated Property
η	0.0001622	Pa×s	512.21	Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, (1S-cis)-.

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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