- InChI
- InChI=1S/C12H16/c1-9-4-5-11-10(8-9)6-7-12(11,2)3/h4-5,8H,6-7H2,1-3H3
- InChI Key
- JIHZHLCOASGNCG-UHFFFAOYSA-N
- Formula
- C12H16
- SMILES
- Cc1ccc2c(c1)CCC2(C)C
- Molecular Weight1
- 160.26
- CAS
- 40650-41-7
- Other Names
-
- 1,1,5-Trimethylindan
- 2,3-Dihydro-1,1,5-trimethyl-1H-indene
- 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).
- Pvap : Vapor 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 | 0.3809 | Relay (1.0) Calculated Property | |
| ΔfG° | 198.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -14.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.219 | Crippen Calculated Property | |
| McVol | 145.320 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Inp | 225.74 | NIST | |
| Tboil | 501.42 | K | Relay (1.0) Calculated Property |
| Tc | 717.61 | K | Relay (1.0) Calculated Property |
| Tfus | 283.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.540 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.59; 419.67] | J/mol×K | [517.58; 744.34] | 
|
| Cp,gas | 332.59 | J/mol×K | 517.58 | Joback Calculated Property |
| Cp,gas | 349.69 | J/mol×K | 555.37 | Joback Calculated Property |
| Cp,gas | 365.53 | J/mol×K | 593.17 | Joback Calculated Property |
| Cp,gas | 380.29 | J/mol×K | 630.96 | Joback Calculated Property |
| Cp,gas | 394.12 | J/mol×K | 668.75 | Joback Calculated Property |
| Cp,gas | 407.20 | J/mol×K | 706.55 | Joback Calculated Property |
| Cp,gas | 419.67 | J/mol×K | 744.34 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [373.39; 557.45] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.32644e+01 | |||
| Coefficient B | -3.78101e+03 | |||
| Coefficient C | -8.20230e+01 | |||
| Temperature range, min. | 373.39 | |||
| Temperature range, max. | 557.45 | |||
| Pvap | 1.33 | kPa | 373.39 | Calculated Property |
| Pvap | 3.12 | kPa | 393.84 | Calculated Property |
| Pvap | 6.59 | kPa | 414.29 | Calculated Property |
| Pvap | 12.74 | kPa | 434.74 | Calculated Property |
| Pvap | 22.93 | kPa | 455.19 | Calculated Property |
| Pvap | 38.81 | kPa | 475.65 | Calculated Property |
| Pvap | 62.37 | kPa | 496.10 | Calculated Property |
| Pvap | 95.86 | kPa | 516.55 | Calculated Property |
| Pvap | 141.75 | kPa | 537.00 | Calculated Property |
| Pvap | 202.66 | kPa | 557.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indene, 2,3-dihydro-1,1,5-trimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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