- InChI
- InChI=1S/C18H24/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H2
- InChI Key
- ODHYDPYRIQKHCI-UHFFFAOYSA-N
- Formula
- C18H24
- SMILES
- C1CCc2c(c3c(c4c2CCCC4)CCCC3)C1
- Molecular Weight1
- 240.38
- CAS
- 1610-39-5
- Other Names
-
- Dodecahydrotriphenylene
- Tritetralin
- 1,2,3,4,5,6,7,8,9,10,11,12-Dodecahydrotriphenylene
- Dodecahydrotri-o-phenylene
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -10319.20 ± 1.40 | kJ/mol | NIST |
| ΔfH°gas | -97.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -193.90 ± 1.70 | kJ/mol | NIST |
| ΔfusH° | 19.36 | kJ/mol | Joback Calculated Property |
| IE | [7.70; 8.60] | eV |
|
| IE | 7.70 ± 0.05 | eV | NIST |
| IE | 8.60 ± 0.03 | eV | NIST |
| logPoct/wat | 4.323 | Crippen Calculated Property | |
| McVol | 208.140 | ml/mol | McGowan Calculated Property |
| Inp | 386.36 | NIST | |
| Tboil | 642.08 | K | Relay (1.0) Calculated Property |
| Tfus | 509.15 ± 1.00 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 |
|---|---|---|---|---|
| Cp,gas | [614.24; 724.13] | J/mol×K | [710.06; 959.23] |
|
| Cp,gas | 614.24 | J/mol×K | 710.06 | Joback Calculated Property |
| Cp,gas | 635.82 | J/mol×K | 751.59 | Joback Calculated Property |
| Cp,gas | 655.86 | J/mol×K | 793.12 | Joback Calculated Property |
| Cp,gas | 674.55 | J/mol×K | 834.64 | Joback Calculated Property |
| Cp,gas | 692.04 | J/mol×K | 876.17 | Joback Calculated Property |
| Cp,gas | 708.51 | J/mol×K | 917.70 | Joback Calculated Property |
| Cp,gas | 724.13 | J/mol×K | 959.23 | Joback Calculated Property |
| η | [0.0005288; 0.0021848] | Pa×s | [437.62; 710.06] |
|
| η | 0.0021848 | Pa×s | 437.62 | Joback Calculated Property |
| η | 0.0015433 | Pa×s | 483.03 | Joback Calculated Property |
| η | 0.0011573 | Pa×s | 528.43 | Joback Calculated Property |
| η | 0.0009083 | Pa×s | 573.84 | Joback Calculated Property |
| η | 0.0007386 | Pa×s | 619.25 | Joback Calculated Property |
| η | 0.0006179 | Pa×s | 664.65 | Joback Calculated Property |
| η | 0.0005288 | Pa×s | 710.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Triphenylene, 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydro-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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