- InChI
- InChI=1S/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3
- InChI Key
- ICLPNZMYHDVKKI-UHFFFAOYSA-N
- Formula
- C18H20
- SMILES
- CC1(C)CC(C)(c2ccccc2)c2ccccc21
- Molecular Weight1
- 236.35
- CAS
- 3910-35-8
- Other Names
-
- Indan, 1,1,3-trimethyl-3-phenyl-
- 1-Phenyl-1,3,3-trimethylindan
- 1-Phenyl-1,3,3-trimethylindane
- 1,1,3-Trimethyl-3-phenylindan
- 1,1,3-Trimethyl-3-phenylindane
- 1,3,3-Trimethyl-1-phenylindan
- 2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
- 1,3,3-Trimethyl-1-phenylindane
- NSC 11311
- NSC 55135
- Styrene, alpha-methyl-, dimer
- 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° | 357.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 129.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.87 | Crippen Calculated Property | |
| logPoct/wat | 4.674 | Crippen Calculated Property | |
| McVol | 206.100 | ml/mol | McGowan Calculated Property |
| Pc | 2241.88 | kPa | Joback Calculated Property |
| Inp | [1714.00; 1716.00] |
|
|
| Inp | 1714.00 | NIST | |
| Inp | 1714.00 | NIST | |
| Inp | 1716.00 | NIST | |
| Tboil | 582.00 ± 5.00 | K | NIST |
| Tc | 928.72 | K | Joback Calculated Property |
| Tfus | [325.00; 326.00] | K |
|
| Tfus | 325.00 ± 3.00 | K | NIST |
| Tfus | 326.00 ± 3.00 | K | NIST |
| Vc | 0.779 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [557.56; 673.27] | J/mol×K | [672.13; 928.72] |
|
| Cp,gas | 557.56 | J/mol×K | 672.13 | Joback Calculated Property |
| Cp,gas | 577.81 | J/mol×K | 714.89 | Joback Calculated Property |
| Cp,gas | 597.11 | J/mol×K | 757.66 | Joback Calculated Property |
| Cp,gas | 615.89 | J/mol×K | 800.42 | Joback Calculated Property |
| Cp,gas | 634.56 | J/mol×K | 843.19 | Joback Calculated Property |
| Cp,gas | 653.55 | J/mol×K | 885.95 | Joback Calculated Property |
| Cp,gas | 673.27 | J/mol×K | 928.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-3-phenyl-.
Sources
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