- InChI
- InChI=1S/C29H60/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-28H2,1-4H3
- InChI Key
- HTCXHZFBQFHUBG-UHFFFAOYSA-N
- Formula
- C29H60
- SMILES
-
CCCCCCCC(CCCCCCC)(CCCCCCC)CCCC
CCC - Molecular Weight1
- 408.80
- 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).
- 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 | 1.0508 | Relay (1.0) Calculated Property | |
| ΔfG° | 196.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -606.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.415 | Crippen Calculated Property | |
| McVol | 419.470 | ml/mol | McGowan Calculated Property |
| Pc | 630.35 | kPa | Joback Calculated Property |
| Tboil | 639.04 | K | Relay (1.0) Calculated Property |
| Tc | 805.92 | K | Relay (1.0) Calculated Property |
| Tfus | 229.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.584 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.22; 1516.93] | 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 | -4.79460e+01 | |||
| Coefficient B | 2.88468e+00 | |||
| Coefficient C | -1.72560e-03 | |||
| Coefficient D | 4.05800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 619.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 774.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 913.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1035.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1144.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1239.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1323.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1396.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1460.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1516.93 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012285; 0.0000416] | Pa×s | [419.01; 737.98] |
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 | -1.45338e+01 | |||
| Coefficient B | 3.28162e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 419.01 | |||
| Temperature range, max. | 737.98 | |||
| η | 0.0012285 | Pa×s | 419.01 | Calculated Property |
| η | 0.0006670 | Pa×s | 454.45 | Calculated Property |
| η | 0.0003956 | Pa×s | 489.89 | Calculated Property |
| η | 0.0002518 | Pa×s | 525.33 | Calculated Property |
| η | 0.0001696 | Pa×s | 560.77 | Calculated Property |
| η | 0.0001198 | Pa×s | 596.22 | Calculated Property |
| η | 0.0000880 | Pa×s | 631.66 | Calculated Property |
| η | 0.0000668 | Pa×s | 667.10 | Calculated Property |
| η | 0.0000521 | Pa×s | 702.54 | Calculated Property |
| η | 0.0000416 | Pa×s | 737.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecane, 8,8-diheptyl-.
Sources
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