- InChI
- InChI=1S/C27H56O/c1-5-6-7-8-9-10-11-13-16-19-22-26(2)23-20-17-14-12-15-18-21-24-27(3)25-28-4/h26-27H,5-25H2,1-4H3
- InChI Key
- ZJLHKMKMADAAGX-UHFFFAOYSA-N
- Formula
- C27H56O
- SMILES
-
CCCCCCCCCCCCC(C)CCCCCCCCCC(C)C
OC - Molecular Weight1
- 396.74
- 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 | 1.0658 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -744.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.727 | Crippen Calculated Property | |
| McVol | 397.160 | ml/mol | McGowan Calculated Property |
| Pc | 688.53 | kPa | Joback Calculated Property |
| Inp | 2804.00 | NIST | |
| Tboil | 632.21 | K | Relay (1.0) Calculated Property |
| Tc | 810.76 | K | Relay (1.0) Calculated Property |
| Tfus | 279.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.524 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.03; 1431.86] | 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 | 4.81000e-01 | |||
| Coefficient B | 2.51748e+00 | |||
| Coefficient C | -1.34040e-03 | |||
| Coefficient D | 2.54300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 593.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 734.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 862.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 976.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1078.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1169.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1249.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1318.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1379.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1431.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016806; 0.0000434] | Pa×s | [386.28; 719.30] |
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 | -1.42857e+01 | |||
| Coefficient B | 3.05049e+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. | 386.28 | |||
| Temperature range, max. | 719.30 | |||
| η | 0.0016806 | Pa×s | 386.28 | Calculated Property |
| η | 0.0008427 | Pa×s | 423.28 | Calculated Property |
| η | 0.0004721 | Pa×s | 460.28 | Calculated Property |
| η | 0.0002883 | Pa×s | 497.29 | Calculated Property |
| η | 0.0001885 | Pa×s | 534.29 | Calculated Property |
| η | 0.0001302 | Pa×s | 571.29 | Calculated Property |
| η | 0.0000941 | Pa×s | 608.29 | Calculated Property |
| η | 0.0000706 | Pa×s | 645.30 | Calculated Property |
| η | 0.0000546 | Pa×s | 682.30 | Calculated Property |
| η | 0.0000434 | Pa×s | 719.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methoxy-2,12-dimethylpentacosane.
Sources
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