- InChI
- InChI=1S/C16H32/c1-6-14(3)10-8-12-16(5)13-9-11-15(4)7-2/h6,14-16H,1,7-13H2,2-5H3
- InChI Key
- SMXPEKNRQAAHID-UHFFFAOYSA-N
- Formula
- C16H32
- SMILES
- C=CC(C)CCCC(C)CCCC(C)CC
- Molecular Weight1
- 224.43
- 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 | 0.5596 | Relay (1.0) Calculated Property | |
| ΔfG° | 164.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.831 | Crippen Calculated Property | |
| McVol | 232.000 | ml/mol | McGowan Calculated Property |
| Pc | 1384.02 | kPa | Joback Calculated Property |
| Inp | 1460.00 | NIST | |
| Tboil | 532.07 | K | Relay (1.0) Calculated Property |
| Tc | 685.26 | K | Relay (1.0) Calculated Property |
| Tfus | 210.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.850 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.15; 817.89] | 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 | -1.96930e+01 | |||
| Coefficient B | 1.52158e+00 | |||
| Coefficient C | -8.79100e-04 | |||
| Coefficient D | 1.95100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 334.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 417.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 491.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 557.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 616.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 667.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 713.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 753.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 787.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 817.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0197453; 0.0001789] | Pa×s | [223.32; 511.21] |
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 | -1.22774e+01 | |||
| Coefficient B | 1.86530e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 223.32 | |||
| Temperature range, max. | 511.21 | |||
| η | 0.0197453 | Pa×s | 223.32 | Calculated Property |
| η | 0.0069338 | Pa×s | 255.31 | Calculated Property |
| η | 0.0030739 | Pa×s | 287.30 | Calculated Property |
| η | 0.0016039 | Pa×s | 319.28 | Calculated Property |
| η | 0.0009422 | Pa×s | 351.27 | Calculated Property |
| η | 0.0006049 | Pa×s | 383.26 | Calculated Property |
| η | 0.0004158 | Pa×s | 415.25 | Calculated Property |
| η | 0.0003015 | Pa×s | 447.24 | Calculated Property |
| η | 0.0002282 | Pa×s | 479.22 | Calculated Property |
| η | 0.0001789 | Pa×s | 511.21 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Tridecene, 3,7,11-trimethyl.
Sources
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