- InChI
- InChI=1S/C12H16/c1-8-4-5-9(2)12-10(3)6-7-11(8)12/h4-5,10H,6-7H2,1-3H3
- InChI Key
- VPYDMFMIOKBZIO-UHFFFAOYSA-N
- Formula
- C12H16
- SMILES
- Cc1ccc(C)c2c1CCC2C
- Molecular Weight1
- 160.26
- CAS
- 54340-87-3
- Other Names
-
- 1,4,7-Trimethyl-(2,3-dihydroindene)
- 1,4,7-Trimethylindan
- 2,3-Dihydro-1,4,7-trimethyl-1H-indene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.4109 | Relay (1.0) Calculated Property | |
| ΔfG° | 194.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -18.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.353 | Crippen Calculated Property | |
| McVol | 145.320 | ml/mol | McGowan Calculated Property |
| Pc | 2619.09 | kPa | Joback Calculated Property |
| Inp | [226.59; 1288.00] |
|
|
| Inp | 1288.00 | NIST | |
| Inp | 226.59 | NIST | |
| Tboil | 511.48 | K | Relay (1.0) Calculated Property |
| Tc | 727.89 | K | Relay (1.0) Calculated Property |
| Tfus | 288.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.536 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.14; 420.33] | J/mol×K | [522.32; 740.90] |
|
| Cp,gas | 333.14 | J/mol×K | 522.32 | Joback Calculated Property |
| Cp,gas | 349.98 | J/mol×K | 558.75 | Joback Calculated Property |
| Cp,gas | 365.83 | J/mol×K | 595.18 | Joback Calculated Property |
| Cp,gas | 380.73 | J/mol×K | 631.61 | Joback Calculated Property |
| Cp,gas | 394.75 | J/mol×K | 668.04 | Joback Calculated Property |
| Cp,gas | 407.93 | J/mol×K | 704.47 | Joback Calculated Property |
| Cp,gas | 420.33 | J/mol×K | 740.90 | Joback Calculated Property |
| η | [0.0003923; 0.0011556] | Pa×s | [306.92; 522.32] |
|
| η | 0.0011556 | Pa×s | 306.92 | Joback Calculated Property |
| η | 0.0008783 | Pa×s | 342.82 | Joback Calculated Property |
| η | 0.0007032 | Pa×s | 378.72 | Joback Calculated Property |
| η | 0.0005851 | Pa×s | 414.62 | Joback Calculated Property |
| η | 0.0005013 | Pa×s | 450.52 | Joback Calculated Property |
| η | 0.0004395 | Pa×s | 486.42 | Joback Calculated Property |
| η | 0.0003923 | Pa×s | 522.32 | 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-1,4,7-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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