Chemical Properties of Cyclohexane-d12 (CAS 1735-17-7)

InChI

InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2

InChI Key

XDTMQSROBMDMFD-LBTWDOQPSA-N

Formula

C6D12

SMILES

C1CCCCC1

Molecular Weight¹

96.23

CAS

1735-17-7

Other Names

• (^2H_12)cyclohexane
• [2H12]cyclohexane
• cyclohexane-2H12
• perdeuterated cyclohexane
• perdeuteriocyclohexane

• ω : Acentric Factor.
• 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_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).
• I_np : Non-polar retention indices.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ : Liquid thermal conductivity (W/m×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	0.2049		Relay (1.0) Calculated Property
ΔfG°	31.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-112.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	2.06	kJ/mol	Joback Calculated Property
ΔvapH°	33.10	kJ/mol	NIST
IE	[9.88; 9.93]	eV
IE	9.90 ± 0.10	eV	NIST
IE	9.93 ± 0.15	eV	NIST
IE	9.88	eV	NIST
IE	9.91 ± 0.01	eV	NIST
log10WS	-3.43		Relay (1.0) Calculated Property
logPoct/wat	2.341		Crippen Calculated Property
McVol	84.540	ml/mol	McGowan Calculated Property
Pc	4130.29	kPa	Joback Calculated Property
Inp	661.00		NIST
S°liquid	228.20	J/mol×K	NIST
Tboil	355.54	K	Relay (1.0) Calculated Property
Tc	555.35	K	Relay (1.0) Calculated Property
Tfus	242.67	K	Relay (1.0) Calculated Property
Vc	0.309	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.03; 211.71]	J/mol×K	[360.90; 565.41]
Cp,gas	134.03	J/mol×K	360.90	Joback Calculated Property
Cp,gas	148.78	J/mol×K	394.98	Joback Calculated Property
Cp,gas	162.77	J/mol×K	429.07	Joback Calculated Property
Cp,gas	176.04	J/mol×K	463.15	Joback Calculated Property
Cp,gas	188.60	J/mol×K	497.24	Joback Calculated Property
Cp,gas	200.49	J/mol×K	531.32	Joback Calculated Property
Cp,gas	211.71	J/mol×K	565.41	Joback Calculated Property
Cp,liquid	[172.80; 211.00]	J/mol×K	[280.00; 330.00]
Cp,liquid	172.80	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	178.40	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	183.84	J/mol×K	298.00	NIST
Cp,liquid	183.80	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	188.70	J/mol×K	298.15	NIST
Cp,liquid	185.10	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	192.70	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	201.30	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	211.00	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
η	[0.0003032; 0.0153533]	Pa×s	[169.00; 360.90]
η	0.0153533	Pa×s	169.00	Joback Calculated Property
η	0.0047435	Pa×s	200.98	Joback Calculated Property
η	0.0020233	Pa×s	232.97	Joback Calculated Property
η	0.0010601	Pa×s	264.95	Joback Calculated Property
η	0.0006385	Pa×s	296.93	Joback Calculated Property
η	0.0004244	Pa×s	328.92	Joback Calculated Property
η	0.0003032	Pa×s	360.90	Joback Calculated Property
ΔvapH	32.58	kJ/mol	298.00	Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
λ	[0.10; 0.12]	W/m×K	[280.46; 326.54]
λ	0.12	W/m×K	280.46	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.12	W/m×K	280.63	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.12	W/m×K	280.74	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.11	W/m×K	291.18	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.11	W/m×K	291.34	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.11	W/m×K	291.45	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.11	W/m×K	303.67	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.11	W/m×K	303.83	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.11	W/m×K	303.92	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.11	W/m×K	315.91	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.11	W/m×K	316.06	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.11	W/m×K	316.17	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.10	W/m×K	326.30	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.10	W/m×K	326.44	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ	0.10	W/m×K	326.54	Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons

Similar Compounds

Find more compounds similar to Cyclohexane-d12.

Mixtures

• Aniline + Cyclohexane-d12
• Cyclohexane-d12 + Benzen-d5-amine

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Deuterium isotope effects in liquid liquid phase diagrams of aniline + cyclohexane mixtures
• Miscibility behavior of trihexyl(tetradecyl)phosphonium tetrafluoroborate with cyclic hydrocarbons
• Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
• Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
• Joback Method
• McGowan Method
• NIST Webbook
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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