Chemical Properties of 1,1,4-Trimethylcyclohexane (CAS 7094-27-1)

InChI

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

InChI Key

UIWORXHEVNIOJG-UHFFFAOYSA-N

Formula

C9H18

SMILES

CC1CCC(C)(C)CC1

Molecular Weight¹

126.24

CAS

7094-27-1

Other Names

• Cyclohexane, 1,1,4-trimethyl-

• 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).
• 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°	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
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	[831.00; 850.00]
Inp	850.00		NIST
Inp	850.00		NIST
Inp	841.80		NIST
Inp	847.00		NIST
Inp	838.90		NIST
Inp	839.30		NIST
Inp	850.00		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	833.00		NIST
Inp	833.00		NIST
Inp	840.20		NIST
Inp	842.90		NIST
Inp	837.60		NIST
Inp	835.00		NIST
Inp	833.00		NIST
Inp	835.00		NIST
Inp	841.00		NIST
Inp	844.00		NIST
Inp	843.00		NIST
Inp	847.00		NIST
Inp	831.00		NIST
Inp	833.00		NIST
Inp	835.00		NIST
Inp	850.00		NIST
Inp	839.30		NIST
Inp	846.00		NIST
Inp	840.20		NIST
Inp	847.00		NIST
Inp	833.00		NIST
Tboil	[407.70; 408.20]	K
Tboil	408.20	K	NIST
Tboil	407.70 ± 0.60	K	NIST
Tc	627.99	K	Joback Calculated Property
Tfus	218.23	K	Joback Calculated Property
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[293.14; 437.25]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40148e+01
Coefficient B			-3.42700e+03
Coefficient C			-4.34870e+01
Temperature range, min.			293.14
Temperature range, max.			437.25
Pvap	1.33	kPa	293.14	Calculated Property
Pvap	3.05	kPa	309.15	Calculated Property
Pvap	6.35	kPa	325.16	Calculated Property
Pvap	12.22	kPa	341.18	Calculated Property
Pvap	21.99	kPa	357.19	Calculated Property
Pvap	37.37	kPa	373.20	Calculated Property
Pvap	60.48	kPa	389.21	Calculated Property
Pvap	93.79	kPa	405.23	Calculated Property
Pvap	140.14	kPa	421.24	Calculated Property
Pvap	202.67	kPa	437.25	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,4-Trimethylcyclohexane.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.