- InChI
- InChI=1S/C20H40O3/c1-3-5-7-9-11-13-15-17-19-23-20(21)22-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
- InChI Key
- KXOQSMVFTPOGKJ-UHFFFAOYSA-N
- Formula
- C20H40O3
- SMILES
- CCCCCCCCCCOC(=O)OCCCCCCCCC
- Molecular Weight1
- 328.53
- 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 | 1.0315 | Relay (1.0) Calculated Property | |
| ΔfG° | -297.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -932.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.031 | Crippen Calculated Property | |
| McVol | 305.970 | ml/mol | McGowan Calculated Property |
| Pc | 1007.81 | kPa | Joback Calculated Property |
| Inp | [2227.00; 2227.00] |
|
|
| Inp | 2227.00 | NIST | |
| Inp | 2227.00 | NIST | |
| Tboil | 606.10 | K | Relay (1.0) Calculated Property |
| Tc | 764.50 | K | Relay (1.0) Calculated Property |
| Tfus | 276.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.215 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.50; 1077.76] | 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 | 3.56170e+01 | |||
| Coefficient B | 1.78584e+00 | |||
| Coefficient C | -8.58600e-04 | |||
| Coefficient D | 1.14900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 461.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 565.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 658.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 743.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 819.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 886.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 945.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 997.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1040.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1077.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015719; 0.0000891] | Pa×s | [379.72; 635.94] |
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 | -1.35804e+01 | |||
| Coefficient B | 2.70545e+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. | 379.72 | |||
| Temperature range, max. | 635.94 | |||
| η | 0.0015719 | Pa×s | 379.72 | Calculated Property |
| η | 0.0009563 | Pa×s | 408.19 | Calculated Property |
| η | 0.0006208 | Pa×s | 436.66 | Calculated Property |
| η | 0.0004249 | Pa×s | 465.13 | Calculated Property |
| η | 0.0003038 | Pa×s | 493.59 | Calculated Property |
| η | 0.0002253 | Pa×s | 522.06 | Calculated Property |
| η | 0.0001723 | Pa×s | 550.53 | Calculated Property |
| η | 0.0001353 | Pa×s | 579.00 | Calculated Property |
| η | 0.0001087 | Pa×s | 607.47 | Calculated Property |
| η | 0.0000891 | Pa×s | 635.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, decyl nonyl ester.
Sources
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