- InChI
- InChI=1S/C26H52O3/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-29-26(27)28-24-22-20-18-12-10-8-6-4-2/h3-25H2,1-2H3
- InChI Key
- JOILGOSOWJQVAK-UHFFFAOYSA-N
- Formula
- C26H52O3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)OCCCCCCCC
CC - Molecular Weight1
- 412.69
- 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 | 1.2418 | Relay (1.0) Calculated Property | |
| ΔfG° | -247.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1053.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.372 | Crippen Calculated Property | |
| McVol | 390.510 | ml/mol | McGowan Calculated Property |
| Pc | 720.30 | kPa | Joback Calculated Property |
| Inp | [2811.00; 2811.00] |
|
|
| Inp | 2811.00 | NIST | |
| Inp | 2811.00 | NIST | |
| Tboil | 645.65 | K | Relay (1.0) Calculated Property |
| Tc | 807.95 | K | Relay (1.0) Calculated Property |
| Tfus | 300.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.549 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [588.78; 1387.30] | 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 | 3.01630e+01 | |||
| Coefficient B | 2.35584e+00 | |||
| Coefficient C | -1.18500e-03 | |||
| Coefficient D | 1.86300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 588.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 723.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 845.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 955.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1052.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1139.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1215.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1282.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1339.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1387.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007206; 0.0000373] | Pa×s | [447.34; 751.86] |
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 | -1.45463e+01 | |||
| Coefficient B | 3.27041e+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. | 447.34 | |||
| Temperature range, max. | 751.86 | |||
| η | 0.0007206 | Pa×s | 447.34 | Calculated Property |
| η | 0.0004309 | Pa×s | 481.18 | Calculated Property |
| η | 0.0002757 | Pa×s | 515.01 | Calculated Property |
| η | 0.0001864 | Pa×s | 548.85 | Calculated Property |
| η | 0.0001319 | Pa×s | 582.68 | Calculated Property |
| η | 0.0000969 | Pa×s | 616.52 | Calculated Property |
| η | 0.0000735 | Pa×s | 650.36 | Calculated Property |
| η | 0.0000574 | Pa×s | 684.19 | Calculated Property |
| η | 0.0000458 | Pa×s | 718.03 | Calculated Property |
| η | 0.0000373 | Pa×s | 751.86 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, decyl pentadecyl ester.
Sources
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