- InChI
- InChI=1S/C14H20/c1-9-8-10(2)12-6-7-14(4,5)13(12)11(9)3/h8H,6-7H2,1-5H3
- InChI Key
- DKEQNICHDTZGAN-UHFFFAOYSA-N
- Formula
- C14H20
- SMILES
- Cc1cc(C)c2c(c1C)C(C)(C)CC2
- Molecular Weight1
- 188.31
- 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.
- 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 |
|---|---|---|---|
| ω | 0.4495 | Relay (1.0) Calculated Property | |
| ΔfG° | 196.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.836 | Crippen Calculated Property | |
| McVol | 173.500 | ml/mol | McGowan Calculated Property |
| Pc | 2233.41 | kPa | Joback Calculated Property |
| Inp | [1458.00; 1458.00] |
|
|
| Inp | 1458.00 | NIST | |
| Inp | 1458.00 | NIST | |
| Tboil | 533.95 | K | Relay (1.0) Calculated Property |
| Tc | 757.35 | K | Relay (1.0) Calculated Property |
| Tfus | 309.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.643 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.27; 521.60] | J/mol×K | [573.30; 794.18] |
|
| Cp,gas | 428.27 | J/mol×K | 573.30 | Joback Calculated Property |
| Cp,gas | 445.90 | J/mol×K | 610.11 | Joback Calculated Property |
| Cp,gas | 462.52 | J/mol×K | 646.93 | Joback Calculated Property |
| Cp,gas | 478.25 | J/mol×K | 683.74 | Joback Calculated Property |
| Cp,gas | 493.24 | J/mol×K | 720.55 | Joback Calculated Property |
| Cp,gas | 507.65 | J/mol×K | 757.36 | Joback Calculated Property |
| Cp,gas | 521.60 | J/mol×K | 794.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indene, 2,3-dihydro-1,1,4,6,7-pentamethyl.
Sources
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