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.

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Physical Properties

Property	Value	Unit	Source
ω	0.4189		Relay (1.0) Calculated Property
Δ_cH°_liquid	-10220.00	kJ/mol	NIST
Δ_fG°	130.30	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-318.33	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	17.34	kJ/mol	Joback Calculated Property
Δ_vapH°	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
logP_oct/wat	5.563		Crippen Calculated Property
McVol	214.580	ml/mol	McGowan Calculated Property
P_c	1832.54	kPa	Joback Calculated Property
T_boil	[576.34; 576.34]	K
T_boil	576.34 ± 0.30	K	NIST
T_boil	576.34 ± 0.30	K	NIST
T_c	785.82	K	Relay (1.0) Calculated Property
T_fus	247.73	K	Relay (1.0) Calculated Property
V_c	0.782	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,liquid	[359.40; 568.40]	J/mol×K	[310.00; 480.00]

C_p,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
C_p,liquid	359.40	J/mol×K	313.00	NIST
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[268.35; 815.47]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			-1.44548e+02
Coefficient B			1.77392e+00
Coefficient C			-1.01180e-03
Coefficient D			1.97900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	268.35	J/mol×K	273.00	Calculated Property
C_p,gas	365.15	J/mol×K	353.78	Calculated Property
C_p,gas	451.49	J/mol×K	434.56	Calculated Property
C_p,gas	527.99	J/mol×K	515.33	Calculated Property
C_p,gas	595.28	J/mol×K	596.11	Calculated Property
C_p,gas	653.99	J/mol×K	676.89	Calculated Property
C_p,gas	704.74	J/mol×K	757.67	Calculated Property
C_p,gas	748.15	J/mol×K	838.44	Calculated Property
C_p,gas	784.85	J/mol×K	919.22	Calculated Property
C_p,gas	815.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0121478; 0.0001913]	Pa×s	[269.84; 577.27]	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			-1.22055e+01
Coefficient B			2.10336e+03
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.			269.84
Temperature range, max.			577.27

η	0.0121478	Pa×s	269.84	Calculated Property
η	0.0050595	Pa×s	304.00	Calculated Property
η	0.0025152	Pa×s	338.16	Calculated Property
η	0.0014214	Pa×s	372.32	Calculated Property
η	0.0008842	Pa×s	406.48	Calculated Property
η	0.0005920	Pa×s	440.64	Calculated Property
η	0.0004199	Pa×s	474.79	Calculated Property
η	0.0003119	Pa×s	508.95	Calculated Property
η	0.0002405	Pa×s	543.11	Calculated Property
η	0.0001913	Pa×s	577.27	Calculated Property

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.66]	kPa	[426.07; 614.34]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
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

P_vap	1.33	kPa	426.07	Calculated Property
P_vap	3.05	kPa	446.99	Calculated Property
P_vap	6.36	kPa	467.91	Calculated Property
P_vap	12.24	kPa	488.83	Calculated Property
P_vap	22.03	kPa	509.75	Calculated Property
P_vap	37.44	kPa	530.66	Calculated Property
P_vap	60.57	kPa	551.58	Calculated Property
P_vap	93.89	kPa	572.50	Calculated Property
P_vap	140.21	kPa	593.42	Calculated Property
P_vap	202.66	kPa	614.34	Calculated Property

Similar Compounds

Cyclohexane, 1-(1,5-dimethylhexyl)-4-methyl-.

Cyclohexane, 1-methyl-4-(1-methylethyl)-, trans-.

Cyclohexane, 1-methyl-4-(1-methylethyl)-, cis-.

Cyclohexane, 1-(1,5-dimethylhexyl)-4-(4-methylpentyl)-.

Cyclohexane, 1-methyl-4-(1-methylbutyl)-.

1,7-Dimethyl-4-(1-methylethyl)cyclodecane.

Cyclotetradecane, 1,7,11-trimethyl-4-(1-methylethyl)-.

2,6,10,14-tetramethyl-7-(3-methylbutyl)pentadecane.

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

Sources

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

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources