Chemical Properties of Cyclohexane, 1,1-dimethyl- (CAS 590-66-9)

InChI

InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3

InChI Key

QEGNUYASOUJEHD-UHFFFAOYSA-N

Formula

C8H16

SMILES

CC1(C)CCCCC1

Molecular Weight¹

112.21

CAS

590-66-9

Other Names

• 1,1-Dimethylcyclohexane
• GEM-DIMETHYLCYCLOHEXANE

• ω : Acentric Factor.
• AP : Aniline Point (K).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2380		KDB
AP	318.550	K	KDB
ΔcH°liquid	[-5241.30; -5216.00]	kJ/mol
ΔcH°liquid	-5216.00 ± 1.90	kJ/mol	NIST
ΔcH°liquid	-5241.30	kJ/mol	NIST
ΔfG°	35.25	kJ/mol	KDB
Δc,grossH	5215.98	kJ/mol	KDB
Δc,netH	4863.900	kJ/mol	KDB
ΔfH°gas	-181.10	kJ/mol	KDB
ΔfusH°	2.01	kJ/mol	Joback Calculated Property
ΔvapH°	[37.80; 38.80]	kJ/mol
ΔvapH°	37.97	kJ/mol	NIST
ΔvapH°	38.80 ± 0.10	kJ/mol	NIST
ΔvapH°	37.90	kJ/mol	NIST
ΔvapH°	37.80	kJ/mol	NIST
IE	[9.42; 9.50]	eV
IE	9.50 ± 0.05	eV	NIST
IE	9.42	eV	NIST
log10WS	-2.82		Crippen Calculated Property
logPoct/wat	2.977		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	2960.00	kPa	KDB
Inp	[778.00; 797.90]
Inp	789.80		NIST
Inp	780.00		NIST
Inp	795.00		NIST
Inp	786.40		NIST
Inp	786.90		NIST
Inp	792.00		NIST
Inp	779.80		NIST
Inp	782.60		NIST
Inp	785.40		NIST
Inp	788.50		NIST
Inp	787.10		NIST
Inp	786.10		NIST
Inp	786.50		NIST
Inp	783.00		NIST
Inp	783.00		NIST
Inp	782.00		NIST
Inp	797.60		NIST
Inp	797.70		NIST
Inp	791.30		NIST
Inp	792.70		NIST
Inp	787.00		NIST
Inp	793.00		NIST
Inp	784.00		NIST
Inp	788.00		NIST
Inp	789.00		NIST
Inp	792.00		NIST
Inp	796.00		NIST
Inp	786.00		NIST
Inp	784.00		NIST
Inp	784.00		NIST
Inp	792.00		NIST
Inp	778.00		NIST
Inp	780.30		NIST
Inp	783.00		NIST
Inp	784.20		NIST
Inp	778.31		NIST
Inp	782.50		NIST
Inp	779.57		NIST
Inp	780.00		NIST
Inp	778.00		NIST
Inp	791.12		NIST
Inp	787.00		NIST
Inp	797.00		NIST
Inp	784.00		NIST
Inp	792.00		NIST
Inp	782.00		NIST
Inp	788.00		NIST
Inp	791.00		NIST
Inp	782.00		NIST
Inp	780.00		NIST
Inp	783.00		NIST
Inp	785.00		NIST
Inp	786.60		NIST
Inp	788.60		NIST
Inp	791.70		NIST
Inp	794.10		NIST
Inp	796.10		NIST
Inp	797.90		NIST
Inp	786.00		NIST
Inp	787.00		NIST
Inp	789.00		NIST
Inp	791.00		NIST
Inp	793.00		NIST
Inp	794.00		NIST
Inp	792.00		NIST
Inp	784.00		NIST
Inp	791.12		NIST
S°gas	364.93	J/mol×K	NIST
S°liquid	267.23	J/mol×K	NIST
Tboil	392.70	K	KDB
Tc	591.00	K	KDB
Tfus	[237.95; 239.70]	K
Tfus	239.70	K	KDB
Tfus	239.13 ± 0.20	K	NIST
Tfus	239.61 ± 0.07	K	NIST
Tfus	237.95 ± 0.50	K	NIST
Ttriple	[239.81; 239.81]	K
Ttriple	239.81 ± 0.05	K	NIST
Ttriple	239.81 ± 0.05	K	NIST
Vc	0.416	m3/kmol	KDB
Zc	0.2505880		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.43; 306.89]	J/mol×K	[402.23; 612.48]
Cp,gas	213.43	J/mol×K	402.23	Joback Calculated Property
Cp,gas	231.81	J/mol×K	437.27	Joback Calculated Property
Cp,gas	248.93	J/mol×K	472.31	Joback Calculated Property
Cp,gas	264.90	J/mol×K	507.35	Joback Calculated Property
Cp,gas	279.81	J/mol×K	542.39	Joback Calculated Property
Cp,gas	293.78	J/mol×K	577.44	Joback Calculated Property
Cp,gas	306.89	J/mol×K	612.48	Joback Calculated Property
Cp,liquid	209.24	J/mol×K	298.15	NIST
ΔfusH	[2.01; 5.98]	kJ/mol	[153.20; 239.80]
ΔfusH	5.98	kJ/mol	153.20	NIST
ΔfusH	2.01	kJ/mol	239.80	NIST
ΔfusH	2.01	kJ/mol	239.80	NIST
ΔvapH	[32.51; 39.60]	kJ/mol	[287.00; 392.70]
ΔvapH	39.60 ± 0.10	kJ/mol	287.00	NIST
ΔvapH	36.60	kJ/mol	354.00	NIST
ΔvapH	32.59	kJ/mol	392.70	KDB
ΔvapH	32.51	kJ/mol	392.70	NIST
n0	1.42662		298.15	KDB
ρl	785.00	kg/m3	289.00	KDB
ΔfusS	[8.37; 39.05]	J/mol×K	[153.20; 239.80]
ΔfusS	39.05	J/mol×K	153.20	NIST
ΔfusS	8.37	J/mol×K	239.80	NIST
γ	0.02	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[282.96; 421.08]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37664e+01
Coefficient B			-3.13309e+03
Coefficient C			-5.05140e+01
Temperature range, min.			282.96
Temperature range, max.			421.08
Pvap	1.33	kPa	282.96	Calculated Property
Pvap	3.07	kPa	298.31	Calculated Property
Pvap	6.42	kPa	313.65	Calculated Property
Pvap	12.38	kPa	329.00	Calculated Property
Pvap	22.28	kPa	344.35	Calculated Property
Pvap	37.82	kPa	359.69	Calculated Property
Pvap	61.07	kPa	375.04	Calculated Property
Pvap	94.44	kPa	390.39	Calculated Property
Pvap	140.65	kPa	405.73	Calculated Property
Pvap	202.66	kPa	421.08	Calculated Property
Pvap	[0.06; 2949.34]	kPa	[239.66; 591.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.41338e+01
Coefficient B			-6.91909e+03
Coefficient C			-8.82986e+00
Coefficient D			5.47352e-06
Temperature range, min.			239.66
Temperature range, max.			591.15
Pvap	0.06	kPa	239.66	Calculated Property
Pvap	1.02	kPa	278.71	Calculated Property
Pvap	7.70	kPa	317.77	Calculated Property
Pvap	34.63	kPa	356.82	Calculated Property
Pvap	110.11	kPa	395.88	Calculated Property
Pvap	275.26	kPa	434.93	Calculated Property
Pvap	580.28	kPa	473.99	Calculated Property
Pvap	1082.05	kPa	513.04	Calculated Property
Pvap	1845.50	kPa	552.10	Calculated Property
Pvap	2949.34	kPa	591.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1-dimethyl-.

Sources

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

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