- InChI
- InChI=1S/C16H26/c1-3-5-6-7-8-12-16-14-10-9-13-15(16)11-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3
- InChI Key
- INGLFYYOAQSFKI-UHFFFAOYSA-N
- Formula
- C16H26
- SMILES
- CCCCCCCc1ccccc1CCC
- Molecular Weight1
- 218.38
- 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 | 0.6485 | Relay (1.0) Calculated Property | |
| ΔfG° | 186.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -137.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.152 | Crippen Calculated Property | |
| McVol | 212.540 | ml/mol | McGowan Calculated Property |
| Pc | 1682.41 | kPa | Joback Calculated Property |
| Inp | [1564.00; 1564.00] |
|
|
| Inp | 1564.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Tboil | 558.22 | K | Relay (1.0) Calculated Property |
| Tc | 749.05 | K | Relay (1.0) Calculated Property |
| Tfus | 249.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.822 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.20; 723.22] | 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 | -3.12620e+01 | |||
| Coefficient B | 1.38544e+00 | |||
| Coefficient C | -8.10760e-04 | |||
| Coefficient D | 1.79800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 290.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 365.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 432.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 492.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 544.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 590.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 631.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 666.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 696.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 723.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024600; 0.0001904] | Pa×s | [309.02; 551.35] |
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 | -1.18297e+01 | |||
| Coefficient B | 1.79916e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 309.02 | |||
| Temperature range, max. | 551.35 | |||
| η | 0.0024600 | Pa×s | 309.02 | Calculated Property |
| η | 0.0015427 | Pa×s | 335.95 | Calculated Property |
| η | 0.0010368 | Pa×s | 362.87 | Calculated Property |
| η | 0.0007361 | Pa×s | 389.80 | Calculated Property |
| η | 0.0005463 | Pa×s | 416.72 | Calculated Property |
| η | 0.0004204 | Pa×s | 443.65 | Calculated Property |
| η | 0.0003333 | Pa×s | 470.57 | Calculated Property |
| η | 0.0002710 | Pa×s | 497.50 | Calculated Property |
| η | 0.0002251 | Pa×s | 524.43 | Calculated Property |
| η | 0.0001904 | Pa×s | 551.35 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-heptyl-2-propyl.
Sources
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