- InChI
- InChI=1S/C13H22/c1-11-4-10-5-12(2,7-11)9-13(3,6-10)8-11/h10H,4-9H2,1-3H3
- InChI Key
- WCACLGXPFTYVEL-UHFFFAOYSA-N
- Formula
- C13H22
- SMILES
- CC12CC3CC(C)(C1)CC(C)(C3)C2
- Molecular Weight1
- 178.31
- CAS
- 707-35-7
- Other Names
-
- 1,3,5-trimethyl-tricyclo[3.3.1.1(3,7)]decane
- 1,3,5-trimethyltricyclo[3.3.1.1(3,7)]decane
- adamantane, 1,3,5-trimethyl-
- tricyclo[3.3.1.1(3,7)]decane, 1,3,5-trimethyl-
- 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).
- 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).
- 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 | -7927.40 ± 4.20 | kJ/mol | NIST |
| ΔfG° | 204.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -255.00 ± 4.20 | kJ/mol | NIST |
| ΔfH°solid | -333.00 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 3.91 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [77.80; 78.00] | kJ/mol |
|
| ΔsubH° | 78.00 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 78.00 | kJ/mol | NIST |
| ΔsubH° | 77.80 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 51.70 ± 0.20 | kJ/mol | NIST |
| log10WS | -3.98 | Crippen Calculated Property | |
| logPoct/wat | 4.003 | Crippen Calculated Property | |
| McVol | 161.450 | ml/mol | McGowan Calculated Property |
| Pc | 2632.55 | kPa | Joback Calculated Property |
| Inp | [1128.00; 1204.00] |
|
|
| Inp | 1194.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | Outlier 1204.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1128.00 | NIST | |
| I | [1274.00; 1310.00] |
|
|
| I | 1274.00 | NIST | |
| I | 1292.00 | NIST | |
| I | 1310.00 | NIST | |
| Tboil | 517.38 | K | Joback Calculated Property |
| Tc | 749.29 | K | Joback Calculated Property |
| Tfus | 253.60 ± 0.20 | K | NIST |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.44; 530.62] | J/mol×K | [517.38; 749.29] |
|
| Cp,gas | 417.44 | J/mol×K | 517.38 | Joback Calculated Property |
| Cp,gas | 440.13 | J/mol×K | 556.03 | Joback Calculated Property |
| Cp,gas | 460.69 | J/mol×K | 594.68 | Joback Calculated Property |
| Cp,gas | 479.58 | J/mol×K | 633.33 | Joback Calculated Property |
| Cp,gas | 497.24 | J/mol×K | 671.98 | Joback Calculated Property |
| Cp,gas | 514.10 | J/mol×K | 710.64 | Joback Calculated Property |
| Cp,gas | 530.62 | J/mol×K | 749.29 | Joback Calculated Property |
| ΔfusH | [1.73; 6.30] | kJ/mol | [228.20; 253.60] |
|
| ΔfusH | 6.30 | kJ/mol | 228.20 | NIST |
| ΔfusH | 1.73 | kJ/mol | 253.60 | NIST |
| ΔfusH | 1.73 | kJ/mol | 253.60 | NIST |
| ρl | [859.20; 887.48] | kg/m3 | [293.15; 333.15] |
|
| ρl | 887.48 | kg/m3 | 293.15 | Density... |
| ρl | 883.99 | kg/m3 | 298.15 | Density... |
| ρl | 880.47 | kg/m3 | 303.15 | Density... |
| ρl | 876.94 | kg/m3 | 308.15 | Density... |
| ρl | 873.40 | kg/m3 | 313.15 | Density... |
| ρl | 869.86 | kg/m3 | 318.15 | Density... |
| ρl | 866.31 | kg/m3 | 323.15 | Density... |
| ρl | 862.76 | kg/m3 | 328.15 | Density... |
| ρl | 859.20 | kg/m3 | 333.15 | Density... |
| ΔfusS | [6.82; 27.61] | J/mol×K | [228.20; 253.60] |
|
| ΔfusS | 27.61 | J/mol×K | 228.20 | NIST |
| ΔfusS | 6.82 | J/mol×K | 253.60 | NIST |
Similar Compounds
Find more compounds similar to 1,3,5-Trimethyladamantane.
Mixtures
Sources
- Crippen Method
- Crippen Method
- 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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.