- InChI
- InChI=1S/C21H44/c1-4-7-10-12-13-15-17-20-21(18-9-6-3)19-16-14-11-8-5-2/h21H,4-20H2,1-3H3
- InChI Key
- ADQFIKGUFMPGSW-UHFFFAOYSA-N
- Formula
- C21H44
- SMILES
- CCCCCCCCCC(CCCC)CCCCCCC
- Molecular Weight1
- 296.57
- 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 | 0.8383 | Relay (... Calculated Property | |
| ΔfG° | 123.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -476.52 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.82 | kJ/mol | Relay (... Calculated Property |
| IE | 9.58 | eV | Relay (... Calculated Property |
| log10WS | -8.80 | Relay (... Calculated Property | |
| logPoct/wat | 8.294 | Crippen Calculated Property | |
| McVol | 306.750 | ml/mol | McGowan Calculated Property |
| Pc | 960.88 | kPa | Joback Calculated Property |
| Inp | [1970.00; 1970.00] |
|
|
| Inp | 1970.00 | NIST | |
| Inp | 1970.00 | NIST | |
| Tboil | 584.95 | K | Relay (... Calculated Property |
| Tc | 753.68 | K | Relay (... Calculated Property |
| Tfus | 249.80 | K | Relay (... Calculated Property |
| Vc | 1.188 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [901.08; 1017.42] | J/mol×K | [679.44; 842.66] |
|
| Cp,gas | 901.08 | J/mol×K | 679.44 | Joback Calculated Property |
| Cp,gas | 922.65 | J/mol×K | 706.64 | Joback Calculated Property |
| Cp,gas | 943.32 | J/mol×K | 733.85 | Joback Calculated Property |
| Cp,gas | 963.10 | J/mol×K | 761.05 | Joback Calculated Property |
| Cp,gas | 982.02 | J/mol×K | 788.26 | Joback Calculated Property |
| Cp,gas | 1000.12 | J/mol×K | 815.46 | Joback Calculated Property |
| Cp,gas | 1017.42 | J/mol×K | 842.66 | Joback Calculated Property |
| η | [0.0000795; 0.0045387] | Pa×s | [311.43; 679.44] |
|
| η | 0.0045387 | Pa×s | 311.43 | Joback Calculated Property |
| η | 0.0013283 | Pa×s | 372.76 | Joback Calculated Property |
| η | 0.0005501 | Pa×s | 434.10 | Joback Calculated Property |
| η | 0.0002834 | Pa×s | 495.44 | Joback Calculated Property |
| η | 0.0001690 | Pa×s | 556.77 | Joback Calculated Property |
| η | 0.0001116 | Pa×s | 618.11 | Joback Calculated Property |
| η | 0.0000795 | Pa×s | 679.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecane, 8-butyl.
Sources
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