Chemical Properties of Cyclohexane, 1,1'-(1-methyl-1,3-propanediyl)bis- (CAS 41851-35-8)

InChI

InChI=1S/C16H30/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h14-16H,2-13H2,1H3

InChI Key

QYUDFQUDLLTCAA-UHFFFAOYSA-N

Formula

C16H30

SMILES

CC(CCC1CCCCC1)C1CCCCC1

Molecular Weight¹

222.42

CAS

41851-35-8

Other Names

• 1,1'-(1-Methyl-1,3-propanediyl)biscyclohexane
• 1,3-Dicyclohexylbutane

• ω : Acentric Factor.
• 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_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).
• 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	0.4189		Relay (1.0) Calculated Property
ΔcH°liquid	-10220.00	kJ/mol	NIST
ΔfG°	130.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-318.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.34	kJ/mol	Joback Calculated Property
ΔvapH°	74.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log10WS	-6.72		Relay (1.0) Calculated Property
logPoct/wat	5.563		Crippen Calculated Property
McVol	214.580	ml/mol	McGowan Calculated Property
Pc	1832.54	kPa	Joback Calculated Property
Tboil	[576.34; 576.34]	K
Tboil	576.34 ± 0.30	K	NIST
Tboil	576.34 ± 0.30	K	NIST
Tc	785.82	K	Relay (1.0) Calculated Property
Tfus	247.73	K	Relay (1.0) Calculated Property
Vc	0.782	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[601.65; 741.24]	J/mol×K	[604.34; 824.67]
Cp,gas	601.65	J/mol×K	604.34	Joback Calculated Property
Cp,gas	628.97	J/mol×K	641.06	Joback Calculated Property
Cp,gas	654.59	J/mol×K	677.78	Joback Calculated Property
Cp,gas	678.57	J/mol×K	714.51	Joback Calculated Property
Cp,gas	700.97	J/mol×K	751.23	Joback Calculated Property
Cp,gas	721.84	J/mol×K	787.95	Joback Calculated Property
Cp,gas	741.24	J/mol×K	824.67	Joback Calculated Property
Cp,liquid	[359.40; 568.40]	J/mol×K	[310.00; 480.00]
Cp,liquid	397.60	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	359.40	J/mol×K	313.00	NIST
Cp,liquid	407.70	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	417.70	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
Cp,liquid	427.80	J/mol×K	340.00	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	437.80	J/mol×K	350.00	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	447.90	J/mol×K	360.00	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	457.90	J/mol×K	370.00	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	468.00	J/mol×K	380.00	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	478.00	J/mol×K	390.00	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	488.10	J/mol×K	400.00	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	498.10	J/mol×K	410.00	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	508.20	J/mol×K	420.00	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	518.20	J/mol×K	430.00	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	528.30	J/mol×K	440.00	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	538.30	J/mol×K	450.00	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	548.40	J/mol×K	460.00	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	558.40	J/mol×K	470.00	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	568.40	J/mol×K	480.00	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	[0.0001625; 0.0121478]	Pa×s	[269.84; 604.34]
η	0.0121478	Pa×s	269.84	Joback Calculated Property
η	0.0031978	Pa×s	325.59	Joback Calculated Property
η	0.0012436	Pa×s	381.34	Joback Calculated Property
η	0.0006154	Pa×s	437.09	Joback Calculated Property
η	0.0003571	Pa×s	492.84	Joback Calculated Property
η	0.0002314	Pa×s	548.59	Joback Calculated Property
η	0.0001625	Pa×s	604.34	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[426.07; 614.34]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39762e+01
Coefficient B			-4.44468e+03
Coefficient C			-1.01373e+02
Temperature range, min.			426.07
Temperature range, max.			614.34
Pvap	1.33	kPa	426.07	Calculated Property
Pvap	3.05	kPa	446.99	Calculated Property
Pvap	6.36	kPa	467.91	Calculated Property
Pvap	12.24	kPa	488.83	Calculated Property
Pvap	22.03	kPa	509.75	Calculated Property
Pvap	37.44	kPa	530.66	Calculated Property
Pvap	60.57	kPa	551.58	Calculated Property
Pvap	93.89	kPa	572.50	Calculated Property
Pvap	140.21	kPa	593.42	Calculated Property
Pvap	202.66	kPa	614.34	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1'-(1-methyl-1,3-propanediyl)bis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• 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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