- InChI
- InChI=1S/C21H42/c1-7-19(4)13-8-9-14-20(5)16-11-17-21(6)15-10-12-18(2)3/h7,18-21H,1,8-17H2,2-6H3
- InChI Key
- PZPVMZPLBITKII-UHFFFAOYSA-N
- Formula
- C21H42
- SMILES
- C=CC(C)CCCCC(C)CCCC(C)CCCC(C)C
- Molecular Weight1
- 294.56
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7065 | Relay (1.0) Calculated Property | |
| ΔfusH° | 34.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.56 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.638 | Crippen Calculated Property | |
| McVol | 302.450 | ml/mol | McGowan Calculated Property |
| Pc | 1001.44 | kPa | Joback Calculated Property |
| Inp | 1889.00 | NIST | |
| Tboil | 594.36 | K | Relay (1.0) Calculated Property |
| Tc | 736.51 | K | Relay (1.0) Calculated Property |
| Tfus | 233.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.123 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.90; 1076.38] | 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 | -2.59200e+01 | |||
| Coefficient B | 2.00250e+00 | |||
| Coefficient C | -1.15430e-03 | |||
| Coefficient D | 2.54100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 439.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 549.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 647.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 734.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 811.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 879.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 939.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 991.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1036.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1076.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0155276; 0.0001095] | Pa×s | [264.67; 591.32] |
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 | -1.31345e+01 | |||
| Coefficient B | 2.37392e+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. | 264.67 | |||
| Temperature range, max. | 591.32 | |||
| η | 0.0155276 | Pa×s | 264.67 | Calculated Property |
| η | 0.0052645 | Pa×s | 300.96 | Calculated Property |
| η | 0.0022527 | Pa×s | 337.26 | Calculated Property |
| η | 0.0011368 | Pa×s | 373.55 | Calculated Property |
| η | 0.0006476 | Pa×s | 409.85 | Calculated Property |
| η | 0.0004042 | Pa×s | 446.14 | Calculated Property |
| η | 0.0002709 | Pa×s | 482.43 | Calculated Property |
| η | 0.0001920 | Pa×s | 518.73 | Calculated Property |
| η | 0.0001423 | Pa×s | 555.02 | Calculated Property |
| η | 0.0001095 | Pa×s | 591.32 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptadecene, 3,8,12,16-tetramethyl.
Sources
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