Chemical Properties of Cyclohexane, 1,1,3-trimethyl- (CAS 3073-66-3)

InChI

InChI=1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3

InChI Key

PYOLJOJPIPCRDP-UHFFFAOYSA-N

Formula

C9H18

SMILES

CC1CCCC(C)(C)C1

Molecular Weight¹

126.24

CAS

3073-66-3

Other Names

• 1,1,3-TRIMETHYLCYCLOHEXANE
• CYCLOGERANIOLANE

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• 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
ΔcH°liquid	-5882.30	kJ/mol	NIST
ΔfG°	36.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.87	kJ/mol	Joback Calculated Property
ΔfusH°	5.67	kJ/mol	Joback Calculated Property
ΔvapH°	34.60	kJ/mol	Joback Calculated Property
IE	9.39	eV	NIST
log10WS	-3.00		Crippen Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	126.810	ml/mol	McGowan Calculated Property
Pc	2875.03	kPa	Joback Calculated Property
Inp	[804.00; 856.00]
Inp	834.00		NIST
Inp	Outlier 804.00		NIST
Inp	839.75		NIST
Inp	845.40		NIST
Inp	836.50		NIST
Inp	836.80		NIST
Inp	850.90		NIST
Inp	851.00		NIST
Inp	846.00		NIST
Inp	846.30		NIST
Inp	847.70		NIST
Inp	847.70		NIST
Inp	840.00		NIST
Inp	846.00		NIST
Inp	836.00		NIST
Inp	841.00		NIST
Inp	842.00		NIST
Inp	846.00		NIST
Inp	850.00		NIST
Inp	836.00		NIST
Inp	839.98		NIST
Inp	845.00		NIST
Inp	830.00		NIST
Inp	856.00		NIST
Inp	849.00		NIST
Inp	837.80		NIST
Inp	835.50		NIST
Inp	832.28		NIST
Inp	833.00		NIST
Inp	830.00		NIST
Inp	840.00		NIST
Inp	833.00		NIST
Inp	839.00		NIST
Inp	841.00		NIST
Inp	838.00		NIST
Inp	840.00		NIST
Inp	832.00		NIST
Inp	835.00		NIST
Inp	840.00		NIST
Inp	837.80		NIST
Tboil	[409.50; 412.15]	K
Tboil	409.78	K	KDB
Tboil	409.80	K	NIST
Tboil	409.78 ± 0.30	K	NIST
Tboil	410.25 ± 1.00	K	NIST
Tboil	409.77 ± 0.03	K	NIST
Tboil	409.68 ± 0.30	K	NIST
Tboil	409.50 ± 0.20	K	NIST
Tboil	Outlier 412.15 ± 1.50	K	NIST
Tboil	410.00 ± 2.00	K	NIST
Tboil	411.00 ± 2.00	K	NIST
Tboil	410.65 ± 1.50	K	NIST
Tboil	411.00 ± 2.00	K	NIST
Tc	627.99	K	Joback Calculated Property
Tfus	204.55 ± 0.50	K	NIST
Vc	0.469	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.95; 356.86]	J/mol×K	[420.44; 627.99]
Cp,gas	255.95	J/mol×K	420.44	Joback Calculated Property
Cp,gas	275.52	J/mol×K	455.03	Joback Calculated Property
Cp,gas	293.86	J/mol×K	489.62	Joback Calculated Property
Cp,gas	311.08	J/mol×K	524.21	Joback Calculated Property
Cp,gas	327.25	J/mol×K	558.80	Joback Calculated Property
Cp,gas	342.48	J/mol×K	593.40	Joback Calculated Property
Cp,gas	356.86	J/mol×K	627.99	Joback Calculated Property
ΔvapH	[37.70; 38.60]	kJ/mol	[368.50; 379.50]
ΔvapH	38.60	kJ/mol	368.50	NIST
ΔvapH	38.40	kJ/mol	369.50	NIST
ΔvapH	37.70	kJ/mol	379.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[296.58; 438.91]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37902e+01
Coefficient B			-3.24337e+03
Coefficient C			-5.63770e+01
Temperature range, min.			296.58
Temperature range, max.			438.91
Pvap	1.33	kPa	296.58	Calculated Property
Pvap	3.07	kPa	312.39	Calculated Property
Pvap	6.41	kPa	328.21	Calculated Property
Pvap	12.36	kPa	344.02	Calculated Property
Pvap	22.25	kPa	359.84	Calculated Property
Pvap	37.77	kPa	375.65	Calculated Property
Pvap	61.01	kPa	391.47	Calculated Property
Pvap	94.37	kPa	407.28	Calculated Property
Pvap	140.59	kPa	423.10	Calculated Property
Pvap	202.65	kPa	438.91	Calculated Property
Pvap	[14.68; 104.94]	kPa	[348.15; 411.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.92667e+01
Coefficient B			-7.41233e+03
Coefficient C			-9.57566e+00
Coefficient D			6.21403e-06
Temperature range, min.			348.15
Temperature range, max.			411.15
Pvap	14.68	kPa	348.15	Calculated Property
Pvap	19.03	kPa	355.15	Calculated Property
Pvap	24.38	kPa	362.15	Calculated Property
Pvap	30.89	kPa	369.15	Calculated Property
Pvap	38.73	kPa	376.15	Calculated Property
Pvap	48.09	kPa	383.15	Calculated Property
Pvap	59.17	kPa	390.15	Calculated Property
Pvap	72.19	kPa	397.15	Calculated Property
Pvap	87.37	kPa	404.15	Calculated Property
Pvap	104.94	kPa	411.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1,3-trimethyl-.

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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