Chemical Properties of 1,5-Cyclohexadiene-1-methanol, 4-(1-methylethyl)- (CAS 19876-45-0)

InChI

InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-5,8,10-11H,6-7H2,1-2H3

InChI Key

QPHLFYOPLZARDQ-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC(C)C1C=CC(CO)=CC1

Molecular Weight¹

152.23

CAS

19876-45-0

Other Names

• p-Mentha-1,5-dien-7-ol
• 1,5-Menthadien-7-ol
• (4-Isopropyl-1,5-cyclohexadien-1-yl)methanol
• p-Mentha-1,5-diene-7-ol

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.11	kJ/mol	Joback Calculated Property
ΔvapH°	76.70	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.137		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Inp	[1191.00; 1194.30]
Inp	1194.30		NIST
Inp	1191.00		NIST
Inp	1191.00		NIST
Ip	[1803.00; 1815.00]
Ip	1814.00		NIST
Ip	1814.00		NIST
Ip	1814.00		NIST
Ip	1814.00		NIST
Ip	1814.00		NIST
Ip	1815.00		NIST
Ip	1814.00		NIST
Ip	1815.00		NIST
Ip	Outlier 1803.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[181.29; 473.88]	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			-3.83390e+01
Coefficient B			9.44340e-01
Coefficient C			-5.42320e-04
Coefficient D			1.10200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.29	J/mol×K	273.00	Calculated Property
Cp,gas	232.75	J/mol×K	353.78	Calculated Property
Cp,gas	278.66	J/mol×K	434.56	Calculated Property
Cp,gas	319.37	J/mol×K	515.33	Calculated Property
Cp,gas	355.22	J/mol×K	596.11	Calculated Property
Cp,gas	386.57	J/mol×K	676.89	Calculated Property
Cp,gas	413.76	J/mol×K	757.67	Calculated Property
Cp,gas	437.15	J/mol×K	838.44	Calculated Property
Cp,gas	457.07	J/mol×K	919.22	Calculated Property
Cp,gas	473.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0245888; 0.0001471]	Pa×s	[269.70; 516.25]	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			-1.44246e+01
Coefficient B			2.89094e+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.			269.70
Temperature range, max.			516.25
η	0.0245888	Pa×s	269.70	Calculated Property
η	0.0091515	Pa×s	297.09	Calculated Property
η	0.0040246	Pa×s	324.49	Calculated Property
η	0.0020114	Pa×s	351.88	Calculated Property
η	0.0011112	Pa×s	379.28	Calculated Property
η	0.0006650	Pa×s	406.67	Calculated Property
η	0.0004246	Pa×s	434.06	Calculated Property
η	0.0002859	Pa×s	461.46	Calculated Property
η	0.0002013	Pa×s	488.85	Calculated Property
η	0.0001471	Pa×s	516.25	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Cyclohexadiene-1-methanol, 4-(1-methylethyl)-.

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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