Chemical Properties of Cyclohexaneethanol, «beta»,4-dimethyl-, trans- (CAS 5113-94-0)

InChI

InChI=1S/C10H20O/c1-8-3-5-10(6-4-8)9(2)7-11/h8-11H,3-7H2,1-2H3/t8-,9?,10-

InChI Key

GOKHLKYATMBASR-YJFOWTTDSA-N

Formula

C10H20O

SMILES

CC1CCC(C(C)CO)CC1

Molecular Weight¹

156.27

CAS

5113-94-0

Other Names

• p-Menthan-9-ol, trans-
• 2-(4-Methylcyclohexyl)-1-propanol, (E)-

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (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	0.5625		Relay (1.0) Calculated Property
ΔfG°	-89.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.13	kJ/mol	Joback Calculated Property
ΔvapH°	76.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-3.00		Relay (1.0) Calculated Property
logPoct/wat	2.441		Crippen Calculated Property
McVol	146.770	ml/mol	McGowan Calculated Property
Pc	2752.67	kPa	Joback Calculated Property
I	[1777.00; 1796.00]
I	1777.00		NIST
I	1787.00		NIST
I	1796.00		NIST
Tboil	494.88	K	Relay (1.0) Calculated Property
Tc	707.92	K	Relay (1.0) Calculated Property
Tfus	261.13	K	Relay (1.0) Calculated Property
Vc	0.498	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.95; 546.18]	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			-6.22590e+01
Coefficient B			1.08934e+00
Coefficient C			-5.79400e-04
Coefficient D			9.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.95	J/mol×K	273.00	Calculated Property
Cp,gas	254.97	J/mol×K	353.78	Calculated Property
Cp,gas	309.79	J/mol×K	434.56	Calculated Property
Cp,gas	358.72	J/mol×K	515.33	Calculated Property
Cp,gas	402.08	J/mol×K	596.11	Calculated Property
Cp,gas	440.18	J/mol×K	676.89	Calculated Property
Cp,gas	473.33	J/mol×K	757.67	Calculated Property
Cp,gas	501.84	J/mol×K	838.44	Calculated Property
Cp,gas	526.02	J/mol×K	919.22	Calculated Property
Cp,gas	546.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0567840; 0.0001735]	Pa×s	[251.42; 507.38]	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			-1.43474e+01
Coefficient B			2.88603e+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.			251.42
Temperature range, max.			507.38
η	0.0567840	Pa×s	251.42	Calculated Property
η	0.0176851	Pa×s	279.86	Calculated Property
η	0.0068306	Pa×s	308.30	Calculated Property
η	0.0030981	Pa×s	336.74	Calculated Property
η	0.0015893	Pa×s	365.18	Calculated Property
η	0.0008979	Pa×s	393.62	Calculated Property
η	0.0005478	Pa×s	422.06	Calculated Property
η	0.0003558	Pa×s	450.50	Calculated Property
η	0.0002432	Pa×s	478.94	Calculated Property
η	0.0001735	Pa×s	507.38	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexaneethanol, «beta»,4-dimethyl-, trans-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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