Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl-

InChI

InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3

InChI Key

CWNOIUTVJRWADX-UHFFFAOYSA-N

Formula

C12H20

SMILES

CC12CC3CC(C1)CC(C)(C3)C2

Molecular Weight¹

164.29

Other Names

1,3-Dimethyl adamantane
1,3-dimethyladamantane
1,3-dimethyltricyclo[3.3.1.1(3,7)]decane
1,3-dimethyltricyclo[3.3.1.13,7]decane
tricyclo[3.3.1.1(3,7)]decane, 1,3-dimethyl-

ω : Acentric Factor.
Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
C_p,gas : Ideal gas heat capacity (J/mol×K).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fH°_solid : Solid 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_subH° : Enthalpy of sublimation 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).
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
ρ_c : Critical density (kg/m³).
ρ_l : Liquid Density (kg/m³).
I_np : Non-polar retention indices.
I_p : 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).
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	0.2958		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Δ_cH°_solid	-7294.00 ± 3.00	kJ/mol	NIST
Δ_fH°_gas	-219.00 ± 3.00	kJ/mol	NIST
Δ_fH°_solid	-287.00 ± 3.00	kJ/mol	NIST
Δ_fusH°	9.31	kJ/mol	The low-temperature heat capacities, phase transitions and thermodynamic properties of 1,3-dimethyladamantane and 1-ethyladamantane
Δ_subH°	[67.80; 68.00]	kJ/mol
Δ_subH°	68.00 ± 1.00	kJ/mol	NIST
Δ_subH°	68.00	kJ/mol	NIST
Δ_subH°	67.80 ± 1.30	kJ/mol	NIST
Δ_vapH°	[49.40; 49.70]	kJ/mol
Δ_vapH°	49.70 ± 0.20	kJ/mol	NIST
Δ_vapH°	49.40 ± 0.30	kJ/mol	NIST
IE	9.15	eV	NIST
logP_oct/wat	3.613		Crippen Calculated Property
McVol	147.360	ml/mol	McGowan Calculated Property
P_c	[3000.00; 3000.00]	kPa
P_c	3000.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
P_c	3000.00 ± 250.00	kPa	NIST
ρ_c	287.50 ± 11.99	kg/m³	NIST
I_np	[1130.00; 1194.00]
I_np	1184.00		NIST
I_np	1130.00		NIST
I_np	1136.00		NIST
I_np	1144.00		NIST
I_np	1154.00		NIST
I_np	1130.00		NIST
I_np	1194.00		NIST
I_np	1136.00		NIST
I_np	1144.00		NIST
I_np	1154.00		NIST
I_np	1151.00		NIST
I_np	1163.00		NIST
I_np	1174.00		NIST
I_np	1184.00		NIST
I_np	1171.00		NIST
I_np	1171.00		NIST
I_np	1151.00		NIST
I_np	1151.00		NIST
I_np	1151.00		NIST
I_np	1184.00		NIST
I_np	1130.00		NIST
I_p	[1296.00; 1331.00]
I_p	1296.00		NIST
I_p	1310.00		NIST
I_p	1331.00		NIST
I_p	1296.00		NIST
T_boil	471.00 ± 4.00	K	NIST
T_c	[708.00; 708.00]	K
T_c	708.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
T_c	708.00 ± 2.00	K	NIST
T_fus	245.00 ± 0.50	K	NIST
V_c	0.575	m³/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Δ_fusH	[0.92; 7.36]	kJ/mol	[190.50; 245.00]

Δ_fusH	1.54	kJ/mol	190.50	NIST
Δ_fusH	7.36	kJ/mol	221.00	NIST
Δ_fusH	0.94	kJ/mol	244.00	NIST
Δ_fusH	0.92	kJ/mol	245.00	NIST
Δ_fusH	0.92	kJ/mol	245.00	NIST
Δ_vapH	[36.40; 49.20]	kJ/mol	[308.00; 439.00]

Δ_vapH	49.20 ± 0.20	kJ/mol	308.00	NIST
Δ_vapH	45.90 ± 0.30	kJ/mol	439.00	NIST
Δ_vapH	43.70 ± 0.30	kJ/mol	439.00	NIST
Δ_vapH	41.50 ± 0.30	kJ/mol	439.00	NIST
Δ_vapH	39.10 ± 0.30	kJ/mol	439.00	NIST
Δ_vapH	36.40 ± 0.30	kJ/mol	439.00	NIST
ρ_l	[851.23; 901.65]	kg/m³	[293.15; 363.15]

ρ_l	901.58	kg/m³	293.15	Density, Viscosity, Refractive Index, and Surface Tension for Six Binary Systems of Adamantane Derivatives with 1-Heptanol and Cyclohexylmethanol
ρ_l	901.57	kg/m³	293.15	Density and Viscosity of Ternary Mixture of Cyclopentanol + exo-Tetrahydrodicyclopentadiene + 1,3-Dimethyladamantane
ρ_l	901.65	kg/m³	293.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρ_l	898.00	kg/m³	298.15	Density and Viscosity of Ternary Mixture of Cyclopentanol + exo-Tetrahydrodicyclopentadiene + 1,3-Dimethyladamantane
ρ_l	898.04	kg/m³	298.15	Density, Viscosity, Refractive Index, and Surface Tension for Six Binary Systems of Adamantane Derivatives with 1-Heptanol and Cyclohexylmethanol
ρ_l	898.09	kg/m³	298.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρ_l	894.53	kg/m³	303.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρ_l	894.43	kg/m³	303.15	Density and Viscosity of Ternary Mixture of Cyclopentanol + exo-Tetrahydrodicyclopentadiene + 1,3-Dimethyladamantane
ρ_l	894.48	kg/m³	303.15	Density, Viscosity, Refractive Index, and Surface Tension for Six Binary Systems of Adamantane Derivatives with 1-Heptanol and Cyclohexylmethanol
ρ_l	890.86	kg/m³	308.15	Density and Viscosity of Ternary Mixture of Cyclopentanol + exo-Tetrahydrodicyclopentadiene + 1,3-Dimethyladamantane
ρ_l	890.92	kg/m³	308.15	Density, Viscosity, Refractive Index, and Surface Tension for Six Binary Systems of Adamantane Derivatives with 1-Heptanol and Cyclohexylmethanol
ρ_l	887.41	kg/m³	313.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρ_l	887.35	kg/m³	313.15	Density, Viscosity, Refractive Index, and Surface Tension for Six Binary Systems of Adamantane Derivatives with 1-Heptanol and Cyclohexylmethanol
ρ_l	887.29	kg/m³	313.15	Density and Viscosity of Ternary Mixture of Cyclopentanol + exo-Tetrahydrodicyclopentadiene + 1,3-Dimethyladamantane
ρ_l	883.77	kg/m³	318.15	Density, Viscosity, Refractive Index, and Surface Tension for Six Binary Systems of Adamantane Derivatives with 1-Heptanol and Cyclohexylmethanol
ρ_l	883.71	kg/m³	318.15	Density and Viscosity of Ternary Mixture of Cyclopentanol + exo-Tetrahydrodicyclopentadiene + 1,3-Dimethyladamantane
ρ_l	880.13	kg/m³	323.15	Density and Viscosity of Ternary Mixture of Cyclopentanol + exo-Tetrahydrodicyclopentadiene + 1,3-Dimethyladamantane
ρ_l	880.17	kg/m³	323.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρ_l	880.19	kg/m³	323.15	Density, Viscosity, Refractive Index, and Surface Tension for Six Binary Systems of Adamantane Derivatives with 1-Heptanol and Cyclohexylmethanol
ρ_l	876.55	kg/m³	328.15	Density and Viscosity of Ternary Mixture of Cyclopentanol + exo-Tetrahydrodicyclopentadiene + 1,3-Dimethyladamantane
ρ_l	876.60	kg/m³	328.15	Density, Viscosity, Refractive Index, and Surface Tension for Six Binary Systems of Adamantane Derivatives with 1-Heptanol and Cyclohexylmethanol
ρ_l	872.96	kg/m³	333.15	Density and Viscosity of Ternary Mixture of Cyclopentanol + exo-Tetrahydrodicyclopentadiene + 1,3-Dimethyladamantane
ρ_l	872.99	kg/m³	333.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρ_l	873.01	kg/m³	333.15	Density, Viscosity, Refractive Index, and Surface Tension for Six Binary Systems of Adamantane Derivatives with 1-Heptanol and Cyclohexylmethanol
ρ_l	865.77	kg/m³	343.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρ_l	858.52	kg/m³	353.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
ρ_l	851.23	kg/m³	363.15	Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
Δ_fusS	[3.76; 33.30]	J/mol×K	[221.00; 245.00]
Δ_fusS	33.30	J/mol×K	221.00	NIST
Δ_fusS	3.76	J/mol×K	245.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[179.24; 600.73]	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			-2.57910e+02
Coefficient B			2.14424e+00
Coefficient C			-2.25300e-03
Coefficient D			9.67400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	179.24	J/mol×K	273.00	Calculated Property
C_p,gas	261.53	J/mol×K	353.78	Calculated Property
C_p,gas	327.81	J/mol×K	434.56	Calculated Property
C_p,gas	381.16	J/mol×K	515.33	Calculated Property
C_p,gas	424.62	J/mol×K	596.11	Calculated Property
C_p,gas	461.25	J/mol×K	676.89	Calculated Property
C_p,gas	494.12	J/mol×K	757.67	Calculated Property
C_p,gas	526.28	J/mol×K	838.44	Calculated Property
C_p,gas	560.80	J/mol×K	919.22	Calculated Property
C_p,gas	600.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Cyclohexane, 1,1,3,5-tetramethyl-, cis-.

Cyclohexane, 1,1,3,5-tetramethyl-, trans-.

Find more compounds similar to Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl-.

Mixtures

Sources

PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
Crippen Method
Crippen Method
The low-temperature heat capacities, phase transitions and thermodynamic properties of 1,3-dimethyladamantane and 1-ethyladamantane
Density and Viscosity of Ternary Mixture of Cyclopentanol + exo-Tetrahydrodicyclopentadiene + 1,3-Dimethyladamantane
Density, Viscosity, Surface Tension, and Refractive Index for Binary Mixtures of 1,3-Dimethyladamantane with Four C10 Alkanes
Density, Viscosity, Refractive Index, and Surface Tension for Six Binary Systems of Adamantane Derivatives with 1-Heptanol and Cyclohexylmethanol
Joback Method
McGowan Method
NIST Webbook

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