- InChI
- InChI=1S/C15H30O4/c1-4-17-14(16)12-10-8-7-9-11-13-15(18-5-2)19-6-3/h15H,4-13H2,1-3H3
- InChI Key
- FUHCSXNXTVRKIW-UHFFFAOYSA-N
- Formula
- C15H30O4
- SMILES
- CCOC(=O)CCCCCCCC(OCC)OCC
- Molecular Weight1
- 274.40
- CAS
- 74987-89-6
- Other Names
-
- Ethyl 9,9-diethoxynonanoate
- 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 | 0.7991 | Relay (1.0) Calculated Property | |
| ΔfG° | -447.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -945.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.679 | Crippen Calculated Property | |
| McVol | 241.390 | ml/mol | McGowan Calculated Property |
| Pc | 1393.33 | kPa | Joback Calculated Property |
| Inp | [1751.00; 1765.70] |
|
|
| Inp | 1765.70 | NIST | |
| Inp | 1751.00 | NIST | |
| Inp | 1751.00 | NIST | |
| Tboil | 566.06 | K | Relay (1.0) Calculated Property |
| Tc | 729.95 | K | Relay (1.0) Calculated Property |
| Tfus | 231.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.925 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.52; 838.84] | 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 | 6.39800e+01 | |||
| Coefficient B | 1.25356e+00 | |||
| Coefficient C | -4.78800e-04 | |||
| Coefficient D | 1.00000e-10 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 370.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 447.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 518.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 582.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 641.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 693.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 738.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 778.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 811.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 838.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023760; 0.0001139] | Pa×s | [330.60; 569.46] |
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 | -1.32854e+01 | |||
| Coefficient B | 2.39456e+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. | 330.60 | |||
| Temperature range, max. | 569.46 | |||
| η | 0.0023760 | Pa×s | 330.60 | Calculated Property |
| η | 0.0013870 | Pa×s | 357.14 | Calculated Property |
| η | 0.0008723 | Pa×s | 383.68 | Calculated Property |
| η | 0.0005825 | Pa×s | 410.22 | Calculated Property |
| η | 0.0004086 | Pa×s | 436.76 | Calculated Property |
| η | 0.0002984 | Pa×s | 463.30 | Calculated Property |
| η | 0.0002255 | Pa×s | 489.84 | Calculated Property |
| η | 0.0001754 | Pa×s | 516.38 | Calculated Property |
| η | 0.0001399 | Pa×s | 542.92 | Calculated Property |
| η | 0.0001139 | Pa×s | 569.46 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonanoic acid, 9,9-diethoxy-, ethyl ester.
Sources
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