- InChI
- InChI=1S/C11H16/c1-4-6-11-8-5-7-9(2)10(11)3/h5,7-8H,4,6H2,1-3H3
- InChI Key
- IRUSTUOJENXLMN-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCCc1cccc(C)c1C
- Molecular Weight1
- 148.24
- CAS
- 17059-44-8
- Other Names
-
- 1,2-Di-Methyl-3-n-Propylbenzene
- Benzene, 1,2-dimethyl-3-propyl
- 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 | 0.4156 | Relay (1.0) Calculated Property | |
| ΔfG° | 134.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -48.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.256 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | [1166.00; 1188.00] |
|
|
| Inp | 1176.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Tboil | 484.89 | K | Relay (1.0) Calculated Property |
| Tc | 683.65 | K | Relay (1.0) Calculated Property |
| Tfus | 239.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.47; 382.22] | J/mol×K | [487.72; 692.15] |
|
| Cp,gas | 301.47 | J/mol×K | 487.72 | Joback Calculated Property |
| Cp,gas | 316.73 | J/mol×K | 521.79 | Joback Calculated Property |
| Cp,gas | 331.23 | J/mol×K | 555.86 | Joback Calculated Property |
| Cp,gas | 345.01 | J/mol×K | 589.93 | Joback Calculated Property |
| Cp,gas | 358.09 | J/mol×K | 624.00 | Joback Calculated Property |
| Cp,gas | 370.48 | J/mol×K | 658.08 | Joback Calculated Property |
| Cp,gas | 382.22 | J/mol×K | 692.15 | Joback Calculated Property |
| η | [0.0002015; 0.0018138] | Pa×s | [265.19; 487.72] |
|
| η | 0.0018138 | Pa×s | 265.19 | Joback Calculated Property |
| η | 0.0010046 | Pa×s | 302.28 | Joback Calculated Property |
| η | 0.0006331 | Pa×s | 339.37 | Joback Calculated Property |
| η | 0.0004370 | Pa×s | 376.46 | Joback Calculated Property |
| η | 0.0003223 | Pa×s | 413.54 | Joback Calculated Property |
| η | 0.0002500 | Pa×s | 450.63 | Joback Calculated Property |
| η | 0.0002015 | Pa×s | 487.72 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [357.97; 515.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43817e+01 | |||
| Coefficient B | -3.99974e+03 | |||
| Coefficient C | -7.41830e+01 | |||
| Temperature range, min. | 357.97 | |||
| Temperature range, max. | 515.16 | |||
| Pvap | 1.33 | kPa | 357.97 | Calculated Property |
| Pvap | 3.02 | kPa | 375.44 | Calculated Property |
| Pvap | 6.25 | kPa | 392.90 | Calculated Property |
| Pvap | 11.99 | kPa | 410.37 | Calculated Property |
| Pvap | 21.58 | kPa | 427.83 | Calculated Property |
| Pvap | 36.75 | kPa | 445.30 | Calculated Property |
| Pvap | 59.65 | kPa | 462.76 | Calculated Property |
| Pvap | 92.87 | kPa | 480.23 | Calculated Property |
| Pvap | 139.42 | kPa | 497.69 | Calculated Property |
| Pvap | 202.66 | kPa | 515.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dimethyl-3-propylbenzene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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