- InChI
- InChI=1S/C23H46O3/c1-3-5-7-9-11-13-14-16-18-20-22-26-23(24)25-21-19-17-15-12-10-8-6-4-2/h3-22H2,1-2H3
- InChI Key
- QMUOXVDESUNOIR-UHFFFAOYSA-N
- Formula
- C23H46O3
- SMILES
- CCCCCCCCCCCCOC(=O)OCCCCCCCCCC
- Molecular Weight1
- 370.61
- 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 | 1.1367 | Relay (1.0) Calculated Property | |
| ΔfG° | -272.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -993.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.201 | Crippen Calculated Property | |
| McVol | 348.240 | ml/mol | McGowan Calculated Property |
| Pc | 846.03 | kPa | Joback Calculated Property |
| Inp | [2520.00; 2520.00] |
|
|
| Inp | 2520.00 | NIST | |
| Inp | 2520.00 | NIST | |
| Tboil | 626.17 | K | Relay (1.0) Calculated Property |
| Tc | 787.22 | K | Relay (1.0) Calculated Property |
| Tfus | 290.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.383 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.14; 1232.53] | 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 | 3.28900e+01 | |||
| Coefficient B | 2.07084e+00 | |||
| Coefficient C | -1.02180e-03 | |||
| Coefficient D | 1.50600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 525.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 644.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 752.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 849.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 936.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1013.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1080.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1139.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1190.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1232.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010793; 0.0000592] | Pa×s | [413.53; 691.26] |
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 | -1.40568e+01 | |||
| Coefficient B | 2.98793e+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. | 413.53 | |||
| Temperature range, max. | 691.26 | |||
| η | 0.0010793 | Pa×s | 413.53 | Calculated Property |
| η | 0.0006535 | Pa×s | 444.39 | Calculated Property |
| η | 0.0004223 | Pa×s | 475.25 | Calculated Property |
| η | 0.0002878 | Pa×s | 506.11 | Calculated Property |
| η | 0.0002050 | Pa×s | 536.97 | Calculated Property |
| η | 0.0001515 | Pa×s | 567.82 | Calculated Property |
| η | 0.0001155 | Pa×s | 598.68 | Calculated Property |
| η | 0.0000905 | Pa×s | 629.54 | Calculated Property |
| η | 0.0000725 | Pa×s | 660.40 | Calculated Property |
| η | 0.0000592 | Pa×s | 691.26 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, decyl dodecyl ester.
Sources
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