Chemical Properties of Cyclohexanol, 3,3-dimethyl- (CAS 767-12-4)

InChI

InChI=1S/C8H16O/c1-8(2)5-3-4-7(9)6-8/h7,9H,3-6H2,1-2H3

InChI Key

DQBDGNSFXSCBJX-UHFFFAOYSA-N

Formula

C8H16O

SMILES

CC1(C)CCCC(O)C1

Molecular Weight¹

128.21

CAS

767-12-4

Other Names

• 3,3-Dimethylcyclohexanol

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.4604		Relay (... Calculated Property
ΔfG°	-109.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-334.44	kJ/mol	Relay (... Calculated Property
ΔfusH°	7.17	kJ/mol	Joback Calculated Property
ΔvapH°	67.82	kJ/mol	Relay (... Calculated Property
IE	9.33	eV	Relay (... Calculated Property
log10WS	-1.35		Relay (... Calculated Property
logPoct/wat	1.948		Crippen Calculated Property
McVol	118.590	ml/mol	McGowan Calculated Property
Pc	3555.77	kPa	Joback Calculated Property
Inp	[1392.00; 1392.00]
Inp	1392.00		NIST
Inp	1392.00		NIST
Tboil	[456.00; 457.00]	K
Tboil	456.00 ± 2.00	K	NIST
Tboil	457.00 ± 2.00	K	NIST
Tc	653.01	K	Relay (... Calculated Property
Tfus	[284.00; 284.70]	K
Tfus	284.70 ± 2.00	K	NIST
Tfus	284.00 ± 3.00	K	NIST
Vc	0.416	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.75; 354.91]	J/mol×K	[489.74; 687.88]
Cp,gas	275.75	J/mol×K	489.74	Joback Calculated Property
Cp,gas	290.94	J/mol×K	522.76	Joback Calculated Property
Cp,gas	305.22	J/mol×K	555.79	Joback Calculated Property
Cp,gas	318.68	J/mol×K	588.81	Joback Calculated Property
Cp,gas	331.39	J/mol×K	621.83	Joback Calculated Property
Cp,gas	343.44	J/mol×K	654.85	Joback Calculated Property
Cp,gas	354.91	J/mol×K	687.88	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[351.52; 480.33]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.63490e+01
Coefficient B			-4.54543e+03
Coefficient C			-6.85160e+01
Temperature range, min.			351.52
Temperature range, max.			480.33
Pvap	1.33	kPa	351.52	Calculated Property
Pvap	2.89	kPa	365.83	Calculated Property
Pvap	5.83	kPa	380.14	Calculated Property
Pvap	11.06	kPa	394.46	Calculated Property
Pvap	19.89	kPa	408.77	Calculated Property
Pvap	34.10	kPa	423.08	Calculated Property
Pvap	56.07	kPa	437.39	Calculated Property
Pvap	88.84	kPa	451.71	Calculated Property
Pvap	136.18	kPa	466.02	Calculated Property
Pvap	202.63	kPa	480.33	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 3,3-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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