Chemical Properties of Cyclohexane, 1,4-dimethyl- (CAS 589-90-2)

InChI

InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3

InChI Key

QRMPKOFEUHIBNM-UHFFFAOYSA-N

Formula

C8H16

SMILES

CC1CCC(C)CC1

Molecular Weight¹

112.21

CAS

589-90-2

Other Names

• 1,4-Dimethylcyclohexane
• 1,4-Dimethylcyclohexane(c,t)
• 1,4-Dimethylcyclohexane,c&t
• Hexahydroxylene
• UN 2263
• cis-trans-1,4-Dimethylcyclohexane
• p-Dimethylcyclohexane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.2654		Relay (1.0) Calculated Property
ΔcH°liquid	-5183.10	kJ/mol	NIST
ΔfG°	33.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-167.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.38	kJ/mol	Joback Calculated Property
ΔvapH°	39.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Aq. Solubility Prediction
logPoct/wat	2.833		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	3038.96	kPa	Joback Calculated Property
Inp	[771.00; 821.00]
Inp	801.00		NIST
Inp	805.00		NIST
Inp	807.00		NIST
Inp	810.00		NIST
Inp	814.00		NIST
Inp	806.30		NIST
Inp	811.42		NIST
Inp	805.00		NIST
Inp	777.00		NIST
Inp	782.00		NIST
Inp	821.00		NIST
Inp	803.00		NIST
Inp	771.00		NIST
Inp	785.00		NIST
Inp	789.00		NIST
Inp	805.00		NIST
Inp	785.00		NIST
Tboil	[392.00; 410.65]	K
Tboil	393.20	K	NIST
Tboil	392.90 ± 2.00	K	NIST
Tboil	396.30 ± 1.00	K	NIST
Tboil	394.90 ± 1.50	K	NIST
Tboil	393.80 ± 0.50	K	NIST
Tboil	397.74 ± 0.40	K	NIST
Tboil	396.20 ± 3.00	K	NIST
Tboil	393.30 ± 1.00	K	NIST
Tboil	396.00 ± 1.00	K	NIST
Tboil	Outlier 410.65 ± 3.00	K	NIST
Tboil	392.00 ± 2.00	K	NIST
Tboil	393.00 ± 2.00	K	NIST
Tc	577.48	K	Relay (1.0) Calculated Property
Tfus	202.72	K	Aq. Solubility Prediction
Vc	0.412	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.34; 423.79]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.40500e+01
Coefficient B			8.59440e-01
Coefficient C			-4.37000e-04
Coefficient D			6.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.34	J/mol×K	273.00	Calculated Property
Cp,gas	188.20	J/mol×K	353.78	Calculated Property
Cp,gas	232.27	J/mol×K	434.56	Calculated Property
Cp,gas	271.75	J/mol×K	515.33	Calculated Property
Cp,gas	306.84	J/mol×K	596.11	Calculated Property
Cp,gas	337.75	J/mol×K	676.89	Calculated Property
Cp,gas	364.70	J/mol×K	757.67	Calculated Property
Cp,gas	387.88	J/mol×K	838.44	Calculated Property
Cp,gas	407.51	J/mol×K	919.22	Calculated Property
Cp,gas	423.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025513; 0.0002333]	Pa×s	[202.72; 418.58]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.06096e+01
Coefficient B			9.40300e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			202.72
Temperature range, max.			418.58
η	0.0025513	Pa×s	202.72	Calculated Property
η	0.0015619	Pa×s	226.70	Calculated Property
η	0.0010503	Pa×s	250.69	Calculated Property
η	0.0007569	Pa×s	274.67	Calculated Property
η	0.0005750	Pa×s	298.66	Calculated Property
η	0.0004550	Pa×s	322.64	Calculated Property
η	0.0003719	Pa×s	346.63	Calculated Property
η	0.0003120	Pa×s	370.61	Calculated Property
η	0.0002674	Pa×s	394.59	Calculated Property
η	0.0002333	Pa×s	418.58	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[289.22; 419.98]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44557e+01
Coefficient B			-3.37214e+03
Coefficient C			-5.12100e+01
Temperature range, min.			289.22
Temperature range, max.			419.98
Pvap	1.33	kPa	289.22	Calculated Property
Pvap	3.01	kPa	303.75	Calculated Property
Pvap	6.23	kPa	318.28	Calculated Property
Pvap	11.95	kPa	332.81	Calculated Property
Pvap	21.50	kPa	347.34	Calculated Property
Pvap	36.62	kPa	361.86	Calculated Property
Pvap	59.48	kPa	376.39	Calculated Property
Pvap	92.69	kPa	390.92	Calculated Property
Pvap	139.26	kPa	405.45	Calculated Property
Pvap	202.63	kPa	419.98	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,4-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.