- InChI
- InChI=1S/C31H64O/c1-4-28-31(2)29-26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-30-32-3/h31H,4-30H2,1-3H3
- InChI Key
- GHVGGQKNRAVSQQ-UHFFFAOYSA-N
- Formula
- C31H64O
- SMILES
-
CCCC(C)CCCCCCCCCCCCCCCCCCCCCCC
CCOC - Molecular Weight1
- 452.85
- 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 | 1.2416 | Relay (1.0) Calculated Property | |
| ΔfG° | 102.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -814.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 154.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.431 | Crippen Calculated Property | |
| McVol | 453.520 | ml/mol | McGowan Calculated Property |
| Pc | 566.08 | kPa | Joback Calculated Property |
| Inp | 3192.00 | NIST | |
| Tboil | 656.56 | K | Relay (1.0) Calculated Property |
| Tc | 832.85 | K | Relay (1.0) Calculated Property |
| Tfus | 308.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.758 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.20; 1637.69] | 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 | -1.47300e+00 | |||
| Coefficient B | 2.89156e+00 | |||
| Coefficient C | -1.55480e-03 | |||
| Coefficient D | 3.02400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 678.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 840.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 986.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1117.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1233.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1337.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1428.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1508.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1577.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1637.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007302; 0.0000244] | Pa×s | [446.36; 808.30] |
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 | -1.48154e+01 | |||
| Coefficient B | 3.38931e+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. | 446.36 | |||
| Temperature range, max. | 808.30 | |||
| η | 0.0007302 | Pa×s | 446.36 | Calculated Property |
| η | 0.0003898 | Pa×s | 486.58 | Calculated Property |
| η | 0.0002291 | Pa×s | 526.79 | Calculated Property |
| η | 0.0001451 | Pa×s | 567.01 | Calculated Property |
| η | 0.0000977 | Pa×s | 607.22 | Calculated Property |
| η | 0.0000691 | Pa×s | 647.44 | Calculated Property |
| η | 0.0000508 | Pa×s | 687.66 | Calculated Property |
| η | 0.0000387 | Pa×s | 727.87 | Calculated Property |
| η | 0.0000303 | Pa×s | 768.09 | Calculated Property |
| η | 0.0000244 | Pa×s | 808.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methoxy-26-methylnonacosane.
Sources
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