Chemical Properties of Cyclohexane, 1,2-dimethyl-, trans- (CAS 6876-23-9)

InChI

InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1

InChI Key

KVZJLSYJROEPSQ-YUMQZZPRSA-N

Formula

C8H16

SMILES

CC1CCCCC1C

Molecular Weight¹

112.21

CAS

6876-23-9

Other Names

• (1R*,2R*)-1,2-dimethylcyclohexane
• 1,2-Dimethyl(trans)-cyclohexane
• 1,2-Dimethylcyclohexane, trans-
• 1,2-trans-Dimethylcyclohexane
• 1,TRANS-2-DIMETHYLCYCLOHEXANE
• Cyclohexane, trans-1,2-dimethyl-
• NSC 74158
• TRANS-1,2-DIMETHYLCYCLOHEXANE
• t-1,2-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).
• η : Dynamic viscosity (Pa×s).
• 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	0.2420		KDB
AP	321.450	K	KDB
ΔcH°liquid	-5216.50 ± 1.80	kJ/mol	NIST
ΔfG°	34.50	kJ/mol	KDB
Δc,grossH	5216.44	kJ/mol	KDB
Δc,netH	4864.360	kJ/mol	KDB
ΔfH°gas	-180.10	kJ/mol	KDB
ΔfusH°	9.38	kJ/mol	Joback Calculated Property
ΔvapH°	[38.30; 38.41]	kJ/mol
ΔvapH°	38.41	kJ/mol	NIST
ΔvapH°	38.30	kJ/mol	NIST
ΔvapH°	38.40	kJ/mol	NIST
ΔvapH°	38.40 ± 0.10	kJ/mol	NIST
ΔvapH°	38.35	kJ/mol	NIST
IE	[9.41; 10.08]	eV
IE	9.41	eV	NIST
IE	9.89 ± 0.05	eV	NIST
IE	10.03 ± 0.05	eV	NIST
IE	10.08 ± 0.03	eV	NIST
log10WS	-2.58		Crippen Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	2900.00	kPa	KDB
Inp	[779.00; 837.80]
Inp	Outlier 837.80		NIST
Inp	783.00		NIST
Inp	807.70		NIST
Inp	Outlier 828.20		NIST
Inp	Outlier 834.70		NIST
Inp	797.40		NIST
Inp	797.50		NIST
Inp	797.70		NIST
Inp	797.80		NIST
Inp	797.50		NIST
Inp	Outlier 836.60		NIST
Inp	801.80		NIST
Inp	807.50		NIST
Inp	805.00		NIST
Inp	801.10		NIST
Inp	819.40		NIST
Inp	820.10		NIST
Inp	791.80		NIST
Inp	793.90		NIST
Inp	796.20		NIST
Inp	798.40		NIST
Inp	801.80		NIST
Inp	797.40		NIST
Inp	797.80		NIST
Inp	804.00		NIST
Inp	794.00		NIST
Inp	794.00		NIST
Inp	794.00		NIST
Inp	818.00		NIST
Inp	801.50		NIST
Inp	807.30		NIST
Inp	812.30		NIST
Inp	812.50		NIST
Inp	812.60		NIST
Inp	807.50		NIST
Inp	807.60		NIST
Inp	810.00		NIST
Inp	810.00		NIST
Inp	802.00		NIST
Inp	808.00		NIST
Inp	799.00		NIST
Inp	803.00		NIST
Inp	805.00		NIST
Inp	808.00		NIST
Inp	811.00		NIST
Inp	802.00		NIST
Inp	799.00		NIST
Inp	806.00		NIST
Inp	817.00		NIST
Inp	802.00		NIST
Inp	807.00		NIST
Inp	817.00		NIST
Inp	802.01		NIST
Inp	792.00		NIST
Inp	819.00		NIST
Inp	792.70		NIST
Inp	794.00		NIST
Inp	795.70		NIST
Inp	790.99		NIST
Inp	791.42		NIST
Inp	796.70		NIST
Inp	798.00		NIST
Inp	798.40		NIST
Inp	804.80		NIST
Inp	795.10		NIST
Inp	796.70		NIST
Inp	798.00		NIST
Inp	798.40		NIST
Inp	792.78		NIST
Inp	793.00		NIST
Inp	792.00		NIST
Inp	816.00		NIST
Inp	798.00		NIST
Inp	807.00		NIST
Inp	793.00		NIST
Inp	803.80		NIST
Inp	806.80		NIST
Inp	809.20		NIST
Inp	811.20		NIST
Inp	813.00		NIST
Inp	803.00		NIST
Inp	806.00		NIST
Inp	809.00		NIST
Inp	811.00		NIST
Inp	813.00		NIST
Inp	Outlier 779.00		NIST
Inp	802.00		NIST
Inp	800.00		NIST
Inp	793.00		NIST
Inp	783.00		NIST
Inp	804.00		NIST
Inp	812.00		NIST
Inp	807.00		NIST
Inp	793.00		NIST
Inp	813.00		NIST
Inp	816.00		NIST
S°gas	371.33	J/mol×K	NIST
S°liquid	273.22	J/mol×K	NIST
Tboil	[396.00; 417.20]	K
Tboil	396.70	K	KDB
Tboil	396.70	K	NIST
Tboil	396.60	K	NIST
Tboil	397.00 ± 2.00	K	NIST
Tboil	396.56 ± 0.20	K	NIST
Tboil	397.00 ± 2.00	K	NIST
Tboil	396.00 ± 1.50	K	NIST
Tboil	396.15 ± 0.30	K	NIST
Tboil	396.75 ± 0.50	K	NIST
Tboil	396.85 ± 0.30	K	NIST
Tboil	396.54 ± 0.25	K	NIST
Tboil	396.54 ± 0.30	K	NIST
Tboil	396.56 ± 0.02	K	NIST
Tboil	396.57 ± 0.20	K	NIST
Tboil	396.85 ± 0.30	K	NIST
Tboil	396.85 ± 0.30	K	NIST
Tboil	396.84 ± 0.30	K	NIST
Tboil	Outlier 417.20 ± 0.20	K	NIST
Tboil	397.00 ± 3.00	K	NIST
Tc	[596.00; 596.00]	K
Tc	596.00	K	KDB
Tc	596.00	K	NIST
Tfus	[183.55; 185.00]	K
Tfus	185.00	K	KDB
Tfus	183.75 ± 0.40	K	NIST
Tfus	184.60 ± 0.50	K	NIST
Tfus	184.97 ± 0.04	K	NIST
Tfus	184.45 ± 0.20	K	NIST
Tfus	184.86 ± 0.02	K	NIST
Tfus	184.55 ± 0.50	K	NIST
Tfus	183.55 ± 0.30	K	NIST
Ttriple	[184.98; 184.99]	K
Ttriple	184.99 ± 0.02	K	NIST
Ttriple	184.98 ± 0.05	K	NIST
Ttriple	184.99 ± 0.03	K	NIST
Vc	0.471	m3/kmol	KDB
Zc	0.2758120		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.54; 307.47]	J/mol×K	[397.32; 597.67]
Cp,gas	212.54	J/mol×K	397.32	Joback Calculated Property
Cp,gas	230.28	J/mol×K	430.71	Joback Calculated Property
Cp,gas	247.23	J/mol×K	464.10	Joback Calculated Property
Cp,gas	263.41	J/mol×K	497.49	Joback Calculated Property
Cp,gas	278.84	J/mol×K	530.89	Joback Calculated Property
Cp,gas	293.52	J/mol×K	564.28	Joback Calculated Property
Cp,gas	307.47	J/mol×K	597.67	Joback Calculated Property
Cp,liquid	209.41	J/mol×K	298.15	NIST
η	[0.0002631; 0.0041986]	Pa×s	[183.06; 397.32]
η	0.0041986	Pa×s	183.06	Joback Calculated Property
η	0.0018154	Pa×s	218.77	Joback Calculated Property
η	0.0009932	Pa×s	254.48	Joback Calculated Property
η	0.0006303	Pa×s	290.19	Joback Calculated Property
η	0.0004419	Pa×s	325.90	Joback Calculated Property
η	0.0003324	Pa×s	361.61	Joback Calculated Property
η	0.0002631	Pa×s	397.32	Joback Calculated Property
ΔfusH	[10.49; 10.50]	kJ/mol	[184.99; 185.00]
ΔfusH	10.49	kJ/mol	184.99	NIST
ΔfusH	10.50	kJ/mol	185.00	NIST
ΔfusH	10.50	kJ/mol	185.00	NIST
ΔvapH	[32.89; 37.00]	kJ/mol	[357.50; 396.70]
ΔvapH	37.00	kJ/mol	357.50	NIST
ΔvapH	34.40 ± 0.10	kJ/mol	373.00	NIST
ΔvapH	33.50 ± 0.10	kJ/mol	387.00	NIST
ΔvapH	32.96	kJ/mol	396.60	NIST
ΔvapH	32.89	kJ/mol	396.70	KDB
n0	1.42470		298.15	KDB
ρl	776.00	kg/m3	293.00	KDB
ΔfusS	56.72	J/mol×K	184.99	NIST
γ	0.02	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[284.85; 425.06]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39092e+01
Coefficient B			-3.26861e+03
Coefficient C			-4.48910e+01
Temperature range, min.			284.85
Temperature range, max.			425.06
Pvap	1.33	kPa	284.85	Calculated Property
Pvap	3.06	kPa	300.43	Calculated Property
Pvap	6.38	kPa	316.01	Calculated Property
Pvap	12.28	kPa	331.59	Calculated Property
Pvap	22.11	kPa	347.17	Calculated Property
Pvap	37.56	kPa	362.74	Calculated Property
Pvap	60.72	kPa	378.32	Calculated Property
Pvap	94.05	kPa	393.90	Calculated Property
Pvap	140.34	kPa	409.48	Calculated Property
Pvap	202.64	kPa	425.06	Calculated Property
Pvap	[8.03e-05; 2937.27]	kPa	[184.99; 596.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.15749e+01
Coefficient B			-6.88423e+03
Coefficient C			-8.42118e+00
Coefficient D			4.99052e-06
Temperature range, min.			184.99
Temperature range, max.			596.15
Pvap	8.03e-05	kPa	184.99	Calculated Property
Pvap	0.02	kPa	230.67	Calculated Property
Pvap	0.74	kPa	276.36	Calculated Property
Pvap	8.05	kPa	322.04	Calculated Property
Pvap	43.90	kPa	367.73	Calculated Property
Pvap	154.89	kPa	413.41	Calculated Property
Pvap	409.94	kPa	459.10	Calculated Property
Pvap	892.49	kPa	504.78	Calculated Property
Pvap	1697.38	kPa	550.47	Calculated Property
Pvap	2937.27	kPa	596.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,2-dimethyl-, trans-.

Mixtures

• Cyclohexane, 1,2-dimethyl-, trans- + Water
• Cyclohexane, 1,2-dimethyl-, cis- + Cyclohexane, 1,2-dimethyl-, trans- + Water
• Cyclohexane, 1,2-dimethyl-, cis- + Cyclohexane, 1,2-dimethyl-, trans- + 1,2-Ethanediol

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
• Solubilities of Alkylcyclohexanes in Water from 30 C to 180 C
• Apparatus for the Determination of Water Solubility in Hydrocarbon: Toluene and Alkylcyclohexanes (C6 to C8) from 30 C to 180 C
• Liquid Liquid Equilibria at Three Temperatures (between 280.15 K and 333.15 K) of Binary, Ternary, and Quaternary Systems Involving Monoethylene Glycol, Water, Cyclohexane, para-Xylene, trans- and cis-Dimethylcyclohexane, and trans- and cis-Decahydronaphthalene
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.