- InChI
- InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3
- InChI Key
- LTMQZVLXCLQPCT-UHFFFAOYSA-N
- Formula
- C13H18
- SMILES
- Cc1ccc2c(c1)CCCC2(C)C
- Molecular Weight1
- 174.28
- CAS
- 475-03-6
- Other Names
-
- «alpha»-Ionene
- Ionene
- 1,1,6-Trimethyl-1,2,3,4-tetrahydronaphthalene
- 1,1,6-Trimethyltetralin
- 1,2,3,4-Tetrahydro-1,1,6-trimethyl-naphthalene
- Naphthalene, tetrahydro-1,1,6-trimethyl-
- ionene (1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene)
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.3844 | Relay (... Calculated Property | |
| ΔfG° | 194.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -59.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.45 | kJ/mol | Relay (... Calculated Property |
| IE | 8.04 | eV | Relay (... Calculated Property |
| log10WS | -4.79 | Relay (... Calculated Property | |
| logPoct/wat | 3.609 | Crippen Calculated Property | |
| McVol | 159.410 | ml/mol | McGowan Calculated Property |
| Pc | 2589.85 | kPa | Joback Calculated Property |
| Inp | [1255.00; 1266.00] |
|
|
| Inp | 1255.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1255.90 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1255.00 | NIST | |
| I | [1545.00; 1567.00] |
|
|
| I | 1545.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1567.00 | NIST | |
| I | 1565.00 | NIST | |
| Tboil | 523.42 | K | Relay (... Calculated Property |
| Tc | 738.40 | K | Relay (... Calculated Property |
| Tfus | 279.02 | K | Relay (... Calculated Property |
| Vc | 0.581 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.21; 476.69] | J/mol×K | [544.73; 775.72] |
|
| Cp,gas | 380.21 | J/mol×K | 544.73 | Joback Calculated Property |
| Cp,gas | 398.97 | J/mol×K | 583.23 | Joback Calculated Property |
| Cp,gas | 416.43 | J/mol×K | 621.73 | Joback Calculated Property |
| Cp,gas | 432.76 | J/mol×K | 660.23 | Joback Calculated Property |
| Cp,gas | 448.14 | J/mol×K | 698.72 | Joback Calculated Property |
| Cp,gas | 462.73 | J/mol×K | 737.22 | Joback Calculated Property |
| Cp,gas | 476.69 | J/mol×K | 775.72 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 511.70 | K | 97.30 | NIST |
Similar Compounds
Find more compounds similar to Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl-.
Sources
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