- 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
- CAS
- 702-79-4
- Other Names
-
- 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-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- ρc : Critical density (kg/m3).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -7294.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 201.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | -287.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 7.62 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [67.80; 68.00] | kJ/mol |
|
| ΔsubH° | 68.00 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 68.00 | kJ/mol | NIST |
| ΔsubH° | 67.80 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | [49.40; 49.70] | kJ/mol |
|
| ΔvapH° | 49.70 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 49.40 ± 0.30 | kJ/mol | NIST |
| IE | 9.15 | eV | NIST |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 3.613 | Crippen Calculated Property | |
| McVol | 147.360 | ml/mol | McGowan Calculated Property |
| Pc | 3000.00 ± 250.00 | kPa | NIST |
| ρc | 287.50 ± 11.99 | kg/m3 | NIST |
| Inp | [1130.00; 1194.00] |
|
|
| Inp | 1184.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1151.00 | NIST | |
| I | [1296.00; 1331.00] |
|
|
| I | 1296.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1331.00 | NIST | |
| I | 1296.00 | NIST | |
| Tboil | 471.00 ± 4.00 | K | NIST |
| Tc | 708.00 ± 2.00 | K | NIST |
| Tfus | 245.00 ± 0.50 | K | NIST |
| Vc | 0.566 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.32; 479.22] | J/mol×K | [494.26; 720.37] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 360 380 400 420 440 460 480 500 600 700 | ||||
| Cp,gas | 368.32 | J/mol×K | 494.26 | Joback Calculated Property |
| Cp,gas | 390.80 | J/mol×K | 531.94 | Joback Calculated Property |
| Cp,gas | 411.27 | J/mol×K | 569.63 | Joback Calculated Property |
| Cp,gas | 430.04 | J/mol×K | 607.31 | Joback Calculated Property |
| Cp,gas | 447.41 | J/mol×K | 645.00 | Joback Calculated Property |
| Cp,gas | 463.70 | J/mol×K | 682.68 | Joback Calculated Property |
| Cp,gas | 479.22 | J/mol×K | 720.37 | Joback Calculated Property |
| ΔfusH | [0.92; 7.36] | kJ/mol | [190.50; 245.00] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 1 2 3 4 5 6 7 8 200 220 240 | ||||
| ΔfusH | 1.54 | kJ/mol | 190.50 | NIST |
| ΔfusH | 7.36 | kJ/mol | 221.00 | NIST |
| ΔfusH | 0.94 | kJ/mol | 244.00 | NIST |
| ΔfusH | 0.92 | kJ/mol | 245.00 | NIST |
| ΔfusH | 0.92 | kJ/mol | 245.00 | NIST |
| ΔvapH | [36.40; 49.20] | kJ/mol | [308.00; 439.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 36 38 40 42 44 46 48 50 350 400 | ||||
| ΔvapH | 49.20 ± 0.20 | kJ/mol | 308.00 | NIST |
| ΔvapH | 45.90 ± 0.30 | kJ/mol | 439.00 | NIST |
| ΔvapH | 43.70 ± 0.30 | kJ/mol | 439.00 | NIST |
| ΔvapH | 41.50 ± 0.30 | kJ/mol | 439.00 | NIST |
| ΔvapH | 39.10 ± 0.30 | kJ/mol | 439.00 | NIST |
| ΔvapH | 36.40 ± 0.30 | kJ/mol | 439.00 | NIST |
| ρl | [851.23; 901.65] | kg/m3 | [293.15; 363.15] |
|
|
T(K) Liquid Density (kg/m3) 850 860 870 880 890 900 300 320 340 360 | ||||
| ρl | 901.65 | kg/m3 | 293.15 | Density... |
| ρl | 901.57 | kg/m3 | 293.15 | Density... |
| ρl | 901.58 | kg/m3 | 293.15 | Density... |
| ρl | 898.09 | kg/m3 | 298.15 | Density... |
| ρl | 898.00 | kg/m3 | 298.15 | Density... |
| ρl | 898.04 | kg/m3 | 298.15 | Density... |
| ρl | 894.43 | kg/m3 | 303.15 | Density... |
| ρl | 894.48 | kg/m3 | 303.15 | Density... |
| ρl | 894.53 | kg/m3 | 303.15 | Density... |
| ρl | 890.92 | kg/m3 | 308.15 | Density... |
| ρl | 890.86 | kg/m3 | 308.15 | Density... |
| ρl | 887.41 | kg/m3 | 313.15 | Density... |
| ρl | 887.29 | kg/m3 | 313.15 | Density... |
| ρl | 887.35 | kg/m3 | 313.15 | Density... |
| ρl | 883.77 | kg/m3 | 318.15 | Density... |
| ρl | 883.71 | kg/m3 | 318.15 | Density... |
| ρl | 880.13 | kg/m3 | 323.15 | Density... |
| ρl | 880.19 | kg/m3 | 323.15 | Density... |
| ρl | 880.17 | kg/m3 | 323.15 | Density... |
| ρl | 876.60 | kg/m3 | 328.15 | Density... |
| ρl | 876.55 | kg/m3 | 328.15 | Density... |
| ρl | 873.01 | kg/m3 | 333.15 | Density... |
| ρl | 872.99 | kg/m3 | 333.15 | Density... |
| ρl | 872.96 | kg/m3 | 333.15 | Density... |
| ρl | 865.77 | kg/m3 | 343.15 | Density... |
| ρl | 858.52 | kg/m3 | 353.15 | Density... |
| ρl | 851.23 | kg/m3 | 363.15 | Density... |
| ΔfusS | [3.76; 33.30] | J/mol×K | [221.00; 245.00] |
|
| ΔfusS | 33.30 | J/mol×K | 221.00 | NIST |
| ΔfusS | 3.76 | J/mol×K | 245.00 | NIST |
Similar Compounds
Find more compounds similar to Adamantane, 1,3-dimethyl-.
Mixtures
- Cyclopentanol + Adamantane, 1,3-dimethyl-
- Adamantane, 1,3-dimethyl- + 4,7-Methano-1H-indene, octahydro-
- Cyclopentanol + Adamantane, 1,3-dimethyl- + 4,7-Methano-1H-indene, octahydro-
- Decane + Adamantane, 1,3-dimethyl-
- Adamantane, 1,3-dimethyl- + Cyclohexane, butyl-
- Naphthalene, decahydro- + Adamantane, 1,3-dimethyl-
- Adamantane + Adamantane, 1,3-dimethyl-
- Cyclohexanemethanol + Adamantane, 1,3-dimethyl-
Sources
- Crippen Method
- Crippen Method
- 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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