- InChI
- InChI=1S/C32H66/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-31(4)28-24-29-32(5)27-23-26-30(3)7-2/h30-32H,6-29H2,1-5H3
- InChI Key
- GQQCWHAYEUVGOI-UHFFFAOYSA-N
- Formula
- C32H66
- SMILES
-
CCCCCCCCCCCCCCCCCCC(C)CCCC(C)C
CCC(C)CC - Molecular Weight1
- 450.87
- 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 | 1.1565 | Relay (1.0) Calculated Property | |
| ΔfG° | 211.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -762.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 146.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.297 | Crippen Calculated Property | |
| McVol | 461.740 | ml/mol | McGowan Calculated Property |
| Pc | 549.49 | kPa | Joback Calculated Property |
| Inp | [3037.00; 3037.00] |
|
|
| Inp | 3037.00 | NIST | |
| Inp | 3037.00 | NIST | |
| Inp | 3037.00 | NIST | |
| Inp | 3037.00 | NIST | |
| Tboil | 656.12 | K | Relay (1.0) Calculated Property |
| Tc | 829.27 | K | Relay (1.0) Calculated Property |
| Tfus | 268.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.788 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [683.38; 1671.85] | 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 | -3.12460e+01 | |||
| Coefficient B | 3.06160e+00 | |||
| Coefficient C | -1.72660e-03 | |||
| Coefficient D | 3.68100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 683.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 852.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1003.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1138.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1258.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1364.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1457.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1538.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1610.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1671.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016243; 0.0000241] | Pa×s | [405.40; 805.51] |
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 | -1.49008e+01 | |||
| Coefficient B | 3.43702e+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. | 405.40 | |||
| Temperature range, max. | 805.51 | |||
| η | 0.0016243 | Pa×s | 405.40 | Calculated Property |
| η | 0.0007027 | Pa×s | 449.86 | Calculated Property |
| η | 0.0003535 | Pa×s | 494.31 | Calculated Property |
| η | 0.0001992 | Pa×s | 538.77 | Calculated Property |
| η | 0.0001225 | Pa×s | 583.23 | Calculated Property |
| η | 0.0000807 | Pa×s | 627.69 | Calculated Property |
| η | 0.0000562 | Pa×s | 672.14 | Calculated Property |
| η | 0.0000409 | Pa×s | 716.60 | Calculated Property |
| η | 0.0000309 | Pa×s | 761.06 | Calculated Property |
| η | 0.0000241 | Pa×s | 805.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,7,11-trimethyl-nonacosane.
Sources
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