- InChI
- InChI=1S/C37H76/c1-10-18-32(4)23-14-26-36(8)28-15-24-33(5)20-11-12-21-34(6)25-16-29-37(9)30-17-27-35(7)22-13-19-31(2)3/h31-37H,10-30H2,1-9H3
- InChI Key
- IALQMCFUWUEGAR-UHFFFAOYSA-N
- Formula
- C37H76
- SMILES
-
CCCC(C)CCCC(C)CCCC(C)CCCCC(C)C
CCC(C)CCCC(C)CCCC(C)C - Molecular Weight1
- 521.00
- 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 | 1.1719 | Relay (1.0) Calculated Property | |
| ΔfG° | 243.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -959.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 151.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.671 | Crippen Calculated Property | |
| McVol | 532.190 | ml/mol | McGowan Calculated Property |
| Pc | 450.01 | kPa | Joback Calculated Property |
| Inp | [3211.00; 3211.00] |
|
|
| Inp | 3211.00 | NIST | |
| Inp | 3211.00 | NIST | |
| Tboil | 693.85 | K | Relay (1.0) Calculated Property |
| Tc | 858.22 | K | Relay (1.0) Calculated Property |
| Tfus | 226.67 | K | Relay (1.0) Calculated Property |
| Vc | 2.007 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.19; 1931.96] | 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 | -4.25190e+01 | |||
| Coefficient B | 3.56028e+00 | |||
| Coefficient C | -2.01140e-03 | |||
| Coefficient D | 4.25600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 788.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 984.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1159.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1316.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1455.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1577.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1685.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1779.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1861.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1931.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020628; 0.0000069] | Pa×s | [401.75; 921.40] |
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 | -1.62872e+01 | |||
| Coefficient B | 4.05910e+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. | 401.75 | |||
| Temperature range, max. | 921.40 | |||
| η | 0.0020628 | Pa×s | 401.75 | Calculated Property |
| η | 0.0005795 | Pa×s | 459.49 | Calculated Property |
| η | 0.0002162 | Pa×s | 517.23 | Calculated Property |
| η | 0.0000983 | Pa×s | 574.97 | Calculated Property |
| η | 0.0000516 | Pa×s | 632.71 | Calculated Property |
| η | 0.0000302 | Pa×s | 690.45 | Calculated Property |
| η | 0.0000192 | Pa×s | 748.19 | Calculated Property |
| η | 0.0000130 | Pa×s | 805.92 | Calculated Property |
| η | 0.0000093 | Pa×s | 863.66 | Calculated Property |
| η | 0.0000069 | Pa×s | 921.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Triacontane, 2,6,10,14,19,23,27-heptamethyl.
Sources
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