Chemical Properties of Cyclohexanol, 3,3,5-trimethyl- (CAS 116-02-9)

InChI

InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3

InChI Key

BRRVXFOKWJKTGG-UHFFFAOYSA-N

Formula

C9H18O

SMILES

CC1CC(O)CC(C)(C)C1

Molecular Weight¹

142.24

CAS

116-02-9

Other Names

• 1-Methyl-3-dimethylcyclohexanol-5
• 3,3,5-Trimethyl-1-cyclohexanol
• 3,3,5-Trimethylcyclohexanol
• 3,5,5-Trimethylcyclohexanol
• Cyclonol
• Homomenthol
• Isophorol, dihydro-
• NSC 4008

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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
ΔfG°	-108.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-352.44	kJ/mol	Joback Calculated Property
ΔfusH°	10.83	kJ/mol	Joback Calculated Property
ΔvapH°	50.97	kJ/mol	Joback Calculated Property
log10WS	-2.38		Crippen Calculated Property
logPoct/wat	2.194		Crippen Calculated Property
McVol	132.680	ml/mol	McGowan Calculated Property
Pc	3065.95	kPa	Joback Calculated Property
Inp	[1043.00; 1073.00]
Inp	1073.00		NIST
Inp	1043.00		NIST
Inp	1073.00		NIST
Tboil	507.95	K	Joback Calculated Property
Tc	703.29	K	Joback Calculated Property
Tfus	274.81	K	Joback Calculated Property
Vc	0.487	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.20; 408.14]	J/mol×K	[507.95; 703.29]
Cp,gas	322.20	J/mol×K	507.95	Joback Calculated Property
Cp,gas	338.50	J/mol×K	540.51	Joback Calculated Property
Cp,gas	353.91	J/mol×K	573.06	Joback Calculated Property
Cp,gas	368.51	J/mol×K	605.62	Joback Calculated Property
Cp,gas	382.36	J/mol×K	638.18	Joback Calculated Property
Cp,gas	395.55	J/mol×K	670.73	Joback Calculated Property
Cp,gas	408.14	J/mol×K	703.29	Joback Calculated Property
ΔvapH	61.80	kJ/mol	408.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[359.92; 513.16]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47694e+01
Coefficient B			-4.17779e+03
Coefficient C			-7.14350e+01
Temperature range, min.			359.92
Temperature range, max.			513.16
Pvap	1.33	kPa	359.92	Calculated Property
Pvap	2.99	kPa	376.95	Calculated Property
Pvap	6.15	kPa	393.97	Calculated Property
Pvap	11.78	kPa	411.00	Calculated Property
Pvap	21.19	kPa	428.03	Calculated Property
Pvap	36.14	kPa	445.05	Calculated Property
Pvap	58.84	kPa	462.08	Calculated Property
Pvap	91.97	kPa	479.11	Calculated Property
Pvap	138.70	kPa	496.13	Calculated Property
Pvap	202.66	kPa	513.16	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 3,3,5-trimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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