- InChI
- InChI=1S/C15H24/c1-3-4-5-6-7-8-11-15-12-9-10-14(2)13-15/h9-10,12-13H,3-8,11H2,1-2H3
- InChI Key
- QMUTZNRXAKMEBK-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- CCCCCCCCc1cccc(C)c1
- Molecular Weight1
- 204.35
- 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).
- I : 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 | 0.6189 | Relay (1.0) Calculated Property | |
| ΔfG° | 178.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -117.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.898 | Crippen Calculated Property | |
| McVol | 198.450 | ml/mol | McGowan Calculated Property |
| Pc | 1823.17 | kPa | Joback Calculated Property |
| I | [1536.00; 1552.00] |
|
|
| I | 1536.00 | NIST | |
| I | 1541.00 | NIST | |
| I | 1550.00 | NIST | |
| I | 1552.00 | NIST | |
| Tboil | 549.33 | K | Relay (1.0) Calculated Property |
| Tc | 736.47 | K | Relay (1.0) Calculated Property |
| Tfus | 227.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.98; 671.63] | 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 | -3.03530e+01 | |||
| Coefficient B | 1.29044e+00 | |||
| Coefficient C | -7.56360e-04 | |||
| Coefficient D | 1.67900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 268.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 338.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 401.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 456.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 505.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 548.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 586.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 618.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 647.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 671.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025521; 0.0001991] | Pa×s | [297.75; 536.95] |
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 | -1.16971e+01 | |||
| Coefficient B | 1.70500e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 297.75 | |||
| Temperature range, max. | 536.95 | |||
| η | 0.0025521 | Pa×s | 297.75 | Calculated Property |
| η | 0.0015962 | Pa×s | 324.33 | Calculated Property |
| η | 0.0010719 | Pa×s | 350.91 | Calculated Property |
| η | 0.0007614 | Pa×s | 377.48 | Calculated Property |
| η | 0.0005657 | Pa×s | 404.06 | Calculated Property |
| η | 0.0004360 | Pa×s | 430.64 | Calculated Property |
| η | 0.0003463 | Pa×s | 457.22 | Calculated Property |
| η | 0.0002822 | Pa×s | 483.80 | Calculated Property |
| η | 0.0002349 | Pa×s | 510.38 | Calculated Property |
| η | 0.0001991 | Pa×s | 536.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-3-octyl.
Sources
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