Dodecylcyclohexane (CAS 1795-17-1)

InChI

InChI=1S/C18H36/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-17H2,1H3

InChI Key

BLRBGKYYWDBAQQ-UHFFFAOYSA-N

Formula

C18H36

SMILES

CCCCCCCCCCCCC1CCCCC1

Molecular Weight¹

252.48

CAS

1795-17-1

Other Names

cyclohexane, dodecyl-
dodecane, 1-cyclohexyl-
n-Dodecyl cyclohexane
n-dodecylcyclohexane

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_fH°_liquid : Liquid phase 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).
ρ_l : Liquid Density (kg/m³).
I_np : Non-polar retention indices.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
T_fus : Melting point (K).
T_triple : Triple Point Temperature (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	0.6757		Relay (1.0) Calculated Property
Δ_cH°_liquid	[-11850.30; -11760.60]	kJ/mol
Δ_cH°_liquid	-11850.30 ± 2.60	kJ/mol	NIST
Δ_cH°_liquid	-11760.60 ± 3.50	kJ/mol	NIST
Δ_fG°	125.13	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-378.10 ± 2.80	kJ/mol	NIST
Δ_fH°_liquid	-467.60 ± 3.60	kJ/mol	NIST
Δ_fusH°	34.21	kJ/mol	Joback Calculated Property
Δ_vapH°	[88.90; 93.40]	kJ/mol
Δ_vapH°	88.91 ± 0.96	kJ/mol	NIST
Δ_vapH°	88.90 ± 0.80	kJ/mol	NIST
Δ_vapH°	89.50	kJ/mol	NIST
Δ_vapH°	93.40 ± 1.30	kJ/mol	NIST
IE	9.81	eV	Relay (1.0) Calculated Property
log₁₀WS	-7.86		Relay (1.0) Calculated Property
logP_oct/wat	6.878		Crippen Calculated Property
McVol	253.620	ml/mol	McGowan Calculated Property
P_c	1331.01	kPa	Joback Calculated Property
I_np	[1818.00; 1864.00]
I_np	1818.00		NIST
I_np	1822.00		NIST
I_np	1864.00		NIST
I_np	1864.00		NIST
T_boil	588.00 ± 4.00	K	NIST
T_c	767.86	K	Relay (1.0) Calculated Property
T_fus	[282.30; 285.00]	K
T_fus	282.30 ± 2.00	K	NIST
T_fus	285.00 ± 1.50	K	NIST
T_triple	[285.80; 285.80]	K
T_triple	285.80 ± 0.20	K	NIST
T_triple	285.80 ± 0.20	K	NIST
V_c	0.963	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[719.98; 841.78]	J/mol×K	[630.79; 811.32]

C_p,gas	719.98	J/mol×K	630.79	Joback Calculated Property
C_p,gas	742.95	J/mol×K	660.88	Joback Calculated Property
C_p,gas	764.80	J/mol×K	690.97	Joback Calculated Property
C_p,gas	785.58	J/mol×K	721.06	Joback Calculated Property
C_p,gas	805.31	J/mol×K	751.15	Joback Calculated Property
C_p,gas	824.03	J/mol×K	781.23	Joback Calculated Property
C_p,gas	841.78	J/mol×K	811.32	Joback Calculated Property
C_p,liquid	[515.50; 615.50]	J/mol×K	[290.00; 300.00]
C_p,liquid	515.50	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
C_p,liquid	522.40	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
C_p,liquid	615.50	J/mol×K	298.15	NIST
C_p,liquid	524.00	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
η	[0.0001308; 0.0054127]	Pa×s	[300.00; 630.79]

η	0.0054127	Pa×s	300.00	Joback Calculated Property
η	0.0017981	Pa×s	355.13	Joback Calculated Property
η	0.0008032	Pa×s	410.26	Joback Calculated Property
η	0.0004343	Pa×s	465.39	Joback Calculated Property
η	0.0002675	Pa×s	520.53	Joback Calculated Property
η	0.0001808	Pa×s	575.66	Joback Calculated Property
η	0.0001308	Pa×s	630.79	Joback Calculated Property
Δ_fusH	[45.84; 45.84]	kJ/mol	[258.80; 258.80]
Δ_fusH	45.84	kJ/mol	258.80	NIST
Δ_fusH	45.84	kJ/mol	258.80	NIST
Δ_fusH	45.84	kJ/mol	258.80	NIST
Δ_fusH	45.84	kJ/mol	258.80	NIST
Δ_vapH	93.40	kJ/mol	311.50	NIST
ρ_l	[769.20; 825.71]	kg/m³	[288.15; 373.15]

ρ_l	825.71	kg/m³	288.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρ_l	822.31	kg/m³	293.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρ_l	822.36	kg/m³	293.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρ_l	819.02	kg/m³	298.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρ_l	815.65	kg/m³	303.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρ_l	815.68	kg/m³	303.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρ_l	809.01	kg/m³	313.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρ_l	809.03	kg/m³	313.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρ_l	802.37	kg/m³	323.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρ_l	802.38	kg/m³	323.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρ_l	795.74	kg/m³	333.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρ_l	795.75	kg/m³	333.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρ_l	789.10	kg/m³	343.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρ_l	782.50	kg/m³	353.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρ_l	775.90	kg/m³	363.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρ_l	769.20	kg/m³	373.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
Δ_fusS	[160.40; 160.40]	J/mol×K	[258.80; 258.80]
Δ_fusS	160.40	J/mol×K	258.80	NIST
Δ_fusS	160.40	J/mol×K	258.80	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_fus	[285.80; 308.40]	K	[100.00; 100000.00]

T_fus	285.80	K	100.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
T_fus	290.60	K	19500.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
T_fus	295.20	K	39600.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
T_fus	299.90	K	60900.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
T_fus	304.20	K	79900.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
T_fus	308.40	K	100000.00	Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.64]	kPa	[452.59; 620.47]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53949e+01
Coefficient B			-5.09043e+03
Coefficient C			-1.15638e+02
Temperature range, min.			452.59
Temperature range, max.			620.47

P_vap	1.33	kPa	452.59	Calculated Property
P_vap	2.94	kPa	471.24	Calculated Property
P_vap	6.01	kPa	489.90	Calculated Property
P_vap	11.46	kPa	508.55	Calculated Property
P_vap	20.62	kPa	527.20	Calculated Property
P_vap	35.26	kPa	545.86	Calculated Property
P_vap	57.65	kPa	564.51	Calculated Property
P_vap	90.63	kPa	583.16	Calculated Property
P_vap	137.63	kPa	601.82	Calculated Property
P_vap	202.64	kPa	620.47	Calculated Property
P_vap	[2.28e-05; 285.16]	kPa	[301.15; 657.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			2.12957e+02
Coefficient B			-1.90387e+04
Coefficient C			-2.83025e+01
Coefficient D			1.22589e-05
Temperature range, min.			301.15
Temperature range, max.			657.00

P_vap	2.28e-05	kPa	301.15	Calculated Property
P_vap	1.45e-03	kPa	340.69	Calculated Property
P_vap	0.03	kPa	380.23	Calculated Property
P_vap	0.31	kPa	419.77	Calculated Property
P_vap	1.83	kPa	459.31	Calculated Property
P_vap	7.53	kPa	498.84	Calculated Property
P_vap	23.71	kPa	538.38	Calculated Property
P_vap	61.58	kPa	577.92	Calculated Property
P_vap	139.26	kPa	617.46	Calculated Property
P_vap	285.16	kPa	657.00	Calculated Property

Similar Compounds

Find more compounds similar to Dodecylcyclohexane.

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Chemical Properties of Dodecylcyclohexane (CAS 1795-17-1)