- InChI
- InChI=1S/C12H18/c1-4-7-11-8-5-6-9-12(11)10(2)3/h5-6,8-10H,4,7H2,1-3H3
- InChI Key
- XNVONTNIANKYKT-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCCc1ccccc1C(C)C
- Molecular Weight1
- 162.27
- 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).
- 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 | 0.4191 | Relay (1.0) Calculated Property | |
| ΔfG° | 150.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -65.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.763 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2388.85 | kPa | Joback Calculated Property |
| Inp | [1180.00; 1180.00] |
|
|
| Inp | 1180.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Tboil | 485.27 | K | Relay (1.0) Calculated Property |
| Tc | 688.83 | K | Relay (1.0) Calculated Property |
| Tfus | 226.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.584 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.03; 517.39] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.93080e+01 | |||
| Coefficient B | 1.01136e+00 | |||
| Coefficient C | -5.96360e-04 | |||
| Coefficient D | 1.31700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 205.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 308.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 351.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 389.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 422.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 451.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 477.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 498.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 517.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037035; 0.0001979] | Pa×s | [248.94; 497.25] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.14647e+01 | |||
| Coefficient B | 1.46034e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 248.94 | |||
| Temperature range, max. | 497.25 | |||
| η | 0.0037035 | Pa×s | 248.94 | Calculated Property |
| η | 0.0020627 | Pa×s | 276.53 | Calculated Property |
| η | 0.0012775 | Pa×s | 304.12 | Calculated Property |
| η | 0.0008568 | Pa×s | 331.71 | Calculated Property |
| η | 0.0006111 | Pa×s | 359.30 | Calculated Property |
| η | 0.0004573 | Pa×s | 386.89 | Calculated Property |
| η | 0.0003557 | Pa×s | 414.48 | Calculated Property |
| η | 0.0002855 | Pa×s | 442.07 | Calculated Property |
| η | 0.0002351 | Pa×s | 469.66 | Calculated Property |
| η | 0.0001979 | Pa×s | 497.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-(1-methylethyl)-2-propyl.
Sources
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