- InChI
- InChI=1S/C10H14/c1-9-5-4-7-10(2,3)8-6-9/h4-8H,1-3H3
- InChI Key
- VOURXYUVXXLJMD-UHFFFAOYSA-N
- Formula
- C10H14
- SMILES
- CC1=CC=CC(C)(C)C=C1
- Molecular Weight1
- 134.22
- CAS
- 3479-89-8
- Other Names
-
- 3,7,7-Trimethylcyclohepta-1,3,5-triene
- 3,7,7-Trimethyl-1,3,5-cycloheptatriene
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 120.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -24.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.22 | Crippen Calculated Property | |
| logPoct/wat | 3.085 | Crippen Calculated Property | |
| McVol | 128.000 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Inp | [953.00; 980.00] |
|
|
| Inp | 953.00 | NIST | |
| Inp | 972.60 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 970.00 | NIST | |
| Tboil | 454.72 | K | Joback Calculated Property |
| Tc | 676.79 | K | Joback Calculated Property |
| Tfus | 245.02 | K | Joback Calculated Property |
| Vc | 0.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.90; 341.81] | J/mol×K | [454.72; 676.79] |
|
| Cp,gas | 256.90 | J/mol×K | 454.72 | Joback Calculated Property |
| Cp,gas | 273.63 | J/mol×K | 491.73 | Joback Calculated Property |
| Cp,gas | 289.18 | J/mol×K | 528.74 | Joback Calculated Property |
| Cp,gas | 303.65 | J/mol×K | 565.76 | Joback Calculated Property |
| Cp,gas | 317.18 | J/mol×K | 602.77 | Joback Calculated Property |
| Cp,gas | 329.86 | J/mol×K | 639.78 | Joback Calculated Property |
| Cp,gas | 341.81 | J/mol×K | 676.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Cycloheptatriene, 3,7,7-trimethyl-.
Sources
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