- InChI
- InChI=1S/C13H18/c1-9-7-10(2)11-5-6-13(3,4)12(11)8-9/h7-8H,5-6H2,1-4H3
- InChI Key
- PJPNYZCIGFQVQG-UHFFFAOYSA-N
- Formula
- C13H18
- SMILES
- Cc1cc(C)c2c(c1)C(C)(C)CC2
- Molecular Weight1
- 174.28
- CAS
- 941-60-6
- Other Names
-
- 2,3-Dihydro-1,1,4,6-tetramethyl-1H-indene
- Indan, 1,1,4,6-tetramethyl-
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔcH°liquid | -7556.30 ± 2.70 | kJ/mol | NIST |
| ΔfG° | 197.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -70.40 ± 2.80 | kJ/mol | NIST |
| ΔfH°liquid | -131.80 ± 2.80 | kJ/mol | NIST |
| ΔfusH° | 14.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [61.37; 61.40] | kJ/mol |
|
| ΔvapH° | 61.37 ± 0.47 | kJ/mol | NIST |
| ΔvapH° | 61.40 ± 0.50 | kJ/mol | NIST |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 3.527 | Crippen Calculated Property | |
| McVol | 159.410 | ml/mol | McGowan Calculated Property |
| Pc | 2487.55 | kPa | Joback Calculated Property |
| Inp | [1293.00; 1350.00] |
|
|
| Inp | 1293.00 | NIST | |
| Inp | 1350.00 | NIST | |
| S°liquid | 348.00 | J/mol×K | NIST |
| Tboil | 545.44 | K | Joback Calculated Property |
| Tc | 769.28 | K | Joback Calculated Property |
| Tfus | 342.09 | K | Joback Calculated Property |
| Ttriple | 273.51 ± 0.02 | K | NIST |
| Vc | 0.611 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.74; 469.93] | J/mol×K | [545.44; 769.28] |
|
| Cp,gas | 379.74 | J/mol×K | 545.44 | Joback Calculated Property |
| Cp,gas | 397.09 | J/mol×K | 582.75 | Joback Calculated Property |
| Cp,gas | 413.31 | J/mol×K | 620.05 | Joback Calculated Property |
| Cp,gas | 428.55 | J/mol×K | 657.36 | Joback Calculated Property |
| Cp,gas | 442.97 | J/mol×K | 694.67 | Joback Calculated Property |
| Cp,gas | 456.71 | J/mol×K | 731.97 | Joback Calculated Property |
| Cp,gas | 469.93 | J/mol×K | 769.28 | Joback Calculated Property |
| Cp,liquid | 299.60 | J/mol×K | 298.15 | NIST |
| ΔfusH | 15.74 | kJ/mol | 273.60 | NIST |
| ΔvapH | [51.90; 60.20] | kJ/mol | [348.00; 446.00] |
|
| ΔvapH | 59.40 | kJ/mol | 348.00 | NIST |
| ΔvapH | 60.20 | kJ/mol | 391.00 | NIST |
| ΔvapH | 51.90 | kJ/mol | 446.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [388.49; 577.49] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.33185e+01 | |||
| Coefficient B | -3.92519e+03 | |||
| Coefficient C | -8.72710e+01 | |||
| Temperature range, min. | 388.49 | |||
| Temperature range, max. | 577.49 | |||
| Pvap | 1.33 | kPa | 388.49 | Calculated Property |
| Pvap | 3.12 | kPa | 409.49 | Calculated Property |
| Pvap | 6.57 | kPa | 430.49 | Calculated Property |
| Pvap | 12.70 | kPa | 451.49 | Calculated Property |
| Pvap | 22.85 | kPa | 472.49 | Calculated Property |
| Pvap | 38.70 | kPa | 493.49 | Calculated Property |
| Pvap | 62.22 | kPa | 514.49 | Calculated Property |
| Pvap | 95.70 | kPa | 535.49 | Calculated Property |
| Pvap | 141.62 | kPa | 556.49 | Calculated Property |
| Pvap | 202.65 | kPa | 577.49 | Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indene, 2,3-dihydro-1,1,4,6-tetramethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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