Chemical Properties of Cyclohexaneethanol (CAS 4442-79-9)

InChI

InChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2

InChI Key

QJQZRLXDLORINA-UHFFFAOYSA-N

Formula

C8H16O

SMILES

OCCC1CCCCC1

Molecular Weight¹

128.21

CAS

4442-79-9

Other Names

• (2-hydroxyethyl)cyclohexane
• .beta.-cyclohexylethyl alcohol
• 2-Cyclohexylethyl alcohol
• 2-cyclohexylethanol
• Ethanol, 2-cyclohexyl-
• Hexahydrophenylethyl alcohol
• NSC 30157
• cyclohexylethanol
• cyclohexylethyl alcohol
• «beta»-Cyclohexyl ethanol
• «beta»-Cyclohexylethyl alcohol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5716		Relay (1.0) Calculated Property
ΔfG°	-95.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-319.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.40	kJ/mol	Joback Calculated Property
ΔvapH°	69.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
log10WS	-2.05		Relay (1.0) Calculated Property
logPoct/wat	1.949		Crippen Calculated Property
McVol	118.590	ml/mol	McGowan Calculated Property
Pc	3505.43	kPa	Joback Calculated Property
Inp	[1098.00; 1098.00]
Inp	1098.00		NIST
Inp	1098.00		NIST
I	[1668.00; 1668.00]
I	1668.00		NIST
I	1668.00		NIST
I	1668.00		NIST
Tboil	481.27	K	Relay (1.0) Calculated Property
Tc	715.13	K	Relay (1.0) Calculated Property
Tfus	245.52	K	Relay (1.0) Calculated Property
Vc	0.399	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[222.00; 323.27]	J/mol×K	[253.50; 352.54]
Cp,liquid	222.00	J/mol×K	253.50	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	223.33	J/mol×K	253.50	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	226.07	J/mol×K	256.05	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	226.32	J/mol×K	256.05	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	229.40	J/mol×K	260.65	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	229.73	J/mol×K	260.65	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	233.72	J/mol×K	265.75	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	233.97	J/mol×K	265.75	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	238.29	J/mol×K	270.86	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	238.21	J/mol×K	270.86	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	242.12	J/mol×K	275.96	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	242.20	J/mol×K	275.96	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	246.19	J/mol×K	281.07	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	246.44	J/mol×K	281.07	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	251.60	J/mol×K	286.17	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	251.26	J/mol×K	286.17	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	256.67	J/mol×K	291.28	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	256.42	J/mol×K	291.28	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	261.91	J/mol×K	296.38	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	262.07	J/mol×K	296.38	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	267.56	J/mol×K	301.48	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	266.98	J/mol×K	301.48	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	273.13	J/mol×K	306.59	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	273.21	J/mol×K	306.59	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	278.70	J/mol×K	311.70	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	279.03	J/mol×K	311.70	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	284.35	J/mol×K	316.81	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	284.35	J/mol×K	316.81	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	290.17	J/mol×K	321.91	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	289.93	J/mol×K	321.91	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	295.50	J/mol×K	327.01	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	295.58	J/mol×K	327.01	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	301.15	J/mol×K	332.12	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	300.82	J/mol×K	332.12	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	307.39	J/mol×K	337.22	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	306.64	J/mol×K	337.22	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	313.87	J/mol×K	342.33	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	312.71	J/mol×K	342.33	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	318.61	J/mol×K	347.43	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	317.95	J/mol×K	347.43	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	323.27	J/mol×K	352.54	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	322.60	J/mol×K	352.54	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.57; 435.80]	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			-6.46980e+01
Coefficient B			9.19900e-01
Coefficient C			-5.22800e-04
Coefficient D			1.03400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.57	J/mol×K	273.00	Calculated Property
Cp,gas	199.89	J/mol×K	353.78	Calculated Property
Cp,gas	244.81	J/mol×K	434.56	Calculated Property
Cp,gas	284.67	J/mol×K	515.33	Calculated Property
Cp,gas	319.79	J/mol×K	596.11	Calculated Property
Cp,gas	350.50	J/mol×K	676.89	Calculated Property
Cp,gas	377.13	J/mol×K	757.67	Calculated Property
Cp,gas	400.01	J/mol×K	838.44	Calculated Property
Cp,gas	419.46	J/mol×K	919.22	Calculated Property
Cp,gas	435.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0593770; 0.0002079]	Pa×s	[248.12; 479.51]	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			-1.45423e+01
Coefficient B			2.90758e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			248.12
Temperature range, max.			479.51
η	0.0593770	Pa×s	248.12	Calculated Property
η	0.0197601	Pa×s	273.83	Calculated Property
η	0.0079430	Pa×s	299.54	Calculated Property
η	0.0036877	Pa×s	325.25	Calculated Property
η	0.0019158	Pa×s	350.96	Calculated Property
η	0.0010883	Pa×s	376.67	Calculated Property
η	0.0006646	Pa×s	402.38	Calculated Property
η	0.0004306	Pa×s	428.09	Calculated Property
η	0.0002931	Pa×s	453.80	Calculated Property
η	0.0002079	Pa×s	479.51	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexaneethanol.

Mixtures

• Cyclohexaneethanol + Water
• Cyclohexaneethanol + Thymol

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• (Solid + liquid) equilibrium phase diagrams in binary mixtures containing terpenes: New experimental data and analysis of several modelling strategies with modified UNIFAC (Dortmund) and PC-SAFT equation of state
• Partial molar volumes of organic solutes in water. XIX. Cyclic alcohols(aq) at T = (298 to 573) K and at pressures up to 30 MPa
• Solubility of fragrance raw materials in water: Experimental study, correlations, and Mod. UNIFAC (Do) predictions
• Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
• Partial Molar Volumes of Cyclic Alcohols at Infinite Dilution in Water at Temperatures T ) (298 to 373) K and Pressure of 0.5 MPa
• Joback Method
• McGowan Method
• NIST Webbook

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