- InChI
- InChI=1S/C16H34/c1-4-7-10-12-15-16(13-9-6-3)14-11-8-5-2/h16H,4-15H2,1-3H3
- InChI Key
- SVMFVKRBBQFZNS-UHFFFAOYSA-N
- Formula
- C16H34
- SMILES
- CCCCCCC(CCCC)CCCCC
- Molecular Weight1
- 226.44
- 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 | 0.6630 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.344 | Crippen Calculated Property | |
| McVol | 236.300 | ml/mol | McGowan Calculated Property |
| Pc | 1326.17 | kPa | Joback Calculated Property |
| Inp | [1484.00; 1498.00] |
|
|
| Inp | 1484.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Tboil | 538.65 | K | Relay (1.0) Calculated Property |
| Tc | 706.32 | K | Relay (1.0) Calculated Property |
| Tfus | 218.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.903 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.59; 845.32] | 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 | -1.33380e+01 | |||
| Coefficient B | 1.52976e+00 | |||
| Coefficient C | -8.49800e-04 | |||
| Coefficient D | 1.78700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 344.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 429.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 505.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 573.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 634.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 688.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 735.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 777.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 813.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 845.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0077044; 0.0002054] | Pa×s | [255.08; 508.57] |
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 | -1.21375e+01 | |||
| Coefficient B | 1.85482e+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. | 255.08 | |||
| Temperature range, max. | 508.57 | |||
| η | 0.0077044 | Pa×s | 255.08 | Calculated Property |
| η | 0.0037386 | Pa×s | 283.25 | Calculated Property |
| η | 0.0020677 | Pa×s | 311.41 | Calculated Property |
| η | 0.0012616 | Pa×s | 339.58 | Calculated Property |
| η | 0.0008303 | Pa×s | 367.74 | Calculated Property |
| η | 0.0005800 | Pa×s | 395.91 | Calculated Property |
| η | 0.0004249 | Pa×s | 424.07 | Calculated Property |
| η | 0.0003236 | Pa×s | 452.24 | Calculated Property |
| η | 0.0002544 | Pa×s | 480.41 | Calculated Property |
| η | 0.0002054 | Pa×s | 508.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Dodecane, 6-butyl.
Sources
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