- InChI
- InChI=1S/C32H66O/c1-5-27-31(2)28-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-29-32(3)30-33-4/h31-32H,5-30H2,1-4H3
- InChI Key
- VZFBDQBOXDOIAG-UHFFFAOYSA-N
- Formula
- C32H66O
- SMILES
-
CCCC(C)CCCCCCCCCCCCCCCCCCCCCCC
C(C)COC - Molecular Weight1
- 466.87
- 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).
- 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 | 1.2434 | Relay (1.0) Calculated Property | |
| ΔfG° | 108.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -847.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 154.03 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 11.677 | Crippen Calculated Property | |
| McVol | 467.610 | ml/mol | McGowan Calculated Property |
| Pc | 543.10 | kPa | Joback Calculated Property |
| Inp | [3230.00; 3230.00] |
|
|
| Inp | 3230.00 | NIST | |
| Inp | 3230.00 | NIST | |
| Tboil | 662.63 | K | Relay (1.0) Calculated Property |
| Tc | 841.51 | K | Relay (1.0) Calculated Property |
| Tfus | 295.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.801 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [699.10; 1689.82] | 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 | -4.06400e+00 | |||
| Coefficient B | 2.99248e+00 | |||
| Coefficient C | -1.61240e-03 | |||
| Coefficient D | 3.13800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 699.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 866.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1017.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1152.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1273.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1380.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1474.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1556.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1627.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1689.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007751; 0.0000189] | Pa×s | [442.63; 830.40] |
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 | -1.51179e+01 | |||
| Coefficient B | 3.52129e+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. | 442.63 | |||
| Temperature range, max. | 830.40 | |||
| η | 0.0007751 | Pa×s | 442.63 | Calculated Property |
| η | 0.0003827 | Pa×s | 485.72 | Calculated Property |
| η | 0.0002120 | Pa×s | 528.80 | Calculated Property |
| η | 0.0001284 | Pa×s | 571.89 | Calculated Property |
| η | 0.0000834 | Pa×s | 614.97 | Calculated Property |
| η | 0.0000573 | Pa×s | 658.06 | Calculated Property |
| η | 0.0000413 | Pa×s | 701.14 | Calculated Property |
| η | 0.0000308 | Pa×s | 744.23 | Calculated Property |
| η | 0.0000238 | Pa×s | 787.31 | Calculated Property |
| η | 0.0000189 | Pa×s | 830.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methoxy-2,26-dimethylnonacosane.
Sources
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