- InChI
- InChI=1S/C25H52O/c1-5-6-7-8-9-11-14-17-20-24(2)21-18-15-12-10-13-16-19-22-25(3)23-26-4/h24-25H,5-23H2,1-4H3
- InChI Key
- MEHVCWKLNLDKDN-UHFFFAOYSA-N
- Formula
- C25H52O
- SMILES
- CCCCCCCCCCC(C)CCCCCCCCCC(C)COC
- Molecular Weight1
- 368.69
- 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 | 0.9960 | Relay (1.0) Calculated Property | |
| ΔfG° | 49.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -702.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.947 | Crippen Calculated Property | |
| McVol | 368.980 | ml/mol | McGowan Calculated Property |
| Pc | 763.52 | kPa | Joback Calculated Property |
| Inp | 2606.00 | NIST | |
| Tboil | 619.61 | K | Relay (1.0) Calculated Property |
| Tc | 797.27 | K | Relay (1.0) Calculated Property |
| Tfus | 272.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.413 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.60; 1328.68] | 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 | 2.29900e+00 | |||
| Coefficient B | 2.32748e+00 | |||
| Coefficient C | -1.23160e-03 | |||
| Coefficient D | 2.30500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 550.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 681.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 800.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 906.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1000.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1084.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1159.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1223.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1280.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1328.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022602; 0.0000582] | Pa×s | [363.74; 679.97] |
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 | -1.39610e+01 | |||
| Coefficient B | 2.86217e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 363.74 | |||
| Temperature range, max. | 679.97 | |||
| η | 0.0022602 | Pa×s | 363.74 | Calculated Property |
| η | 0.0011301 | Pa×s | 398.88 | Calculated Property |
| η | 0.0006321 | Pa×s | 434.01 | Calculated Property |
| η | 0.0003858 | Pa×s | 469.15 | Calculated Property |
| η | 0.0002522 | Pa×s | 504.29 | Calculated Property |
| η | 0.0001742 | Pa×s | 539.42 | Calculated Property |
| η | 0.0001260 | Pa×s | 574.56 | Calculated Property |
| η | 0.0000945 | Pa×s | 609.70 | Calculated Property |
| η | 0.0000732 | Pa×s | 644.83 | Calculated Property |
| η | 0.0000582 | Pa×s | 679.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methoxy-2,12-dimethyltricosane.
Sources
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