- InChI
- InChI=1S/C19H36O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-24-19(21)17-22-16-18(20)23-4-2/h3-17H2,1-2H3
- InChI Key
- FMVTVEWXFHTXTL-UHFFFAOYSA-N
- Formula
- C19H36O5
- SMILES
- CCCCCCCCCCCCCOC(=O)COCC(=O)OCC
- Molecular Weight1
- 344.49
- 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 | 1.0476 | Relay (1.0) Calculated Property | |
| ΔfG° | -616.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1174.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.420 | Crippen Calculated Property | |
| McVol | 299.320 | ml/mol | McGowan Calculated Property |
| Pc | 1075.69 | kPa | Joback Calculated Property |
| Inp | [3025.00; 3025.00] |
|
|
| Inp | 3025.00 | NIST | |
| Inp | 3025.00 | NIST | |
| Tboil | 621.59 | K | Relay (1.0) Calculated Property |
| Tc | 792.45 | K | Relay (1.0) Calculated Property |
| Tfus | 291.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.162 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.62; 1034.27] | 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 | 6.19350e+01 | |||
| Coefficient B | 1.63604e+00 | |||
| Coefficient C | -7.09600e-04 | |||
| Coefficient D | 4.59000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 456.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 553.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 642.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 722.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 794.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 858.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 914.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 961.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1001.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1034.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011190; 0.0000684] | Pa×s | [410.78; 665.33] |
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 | -1.41009e+01 | |||
| Coefficient B | 3.00101e+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. | 410.78 | |||
| Temperature range, max. | 665.33 | |||
| η | 0.0011190 | Pa×s | 410.78 | Calculated Property |
| η | 0.0006990 | Pa×s | 439.06 | Calculated Property |
| η | 0.0004622 | Pa×s | 467.35 | Calculated Property |
| η | 0.0003204 | Pa×s | 495.63 | Calculated Property |
| η | 0.0002310 | Pa×s | 523.92 | Calculated Property |
| η | 0.0001723 | Pa×s | 552.20 | Calculated Property |
| η | 0.0001322 | Pa×s | 580.48 | Calculated Property |
| η | 0.0001040 | Pa×s | 608.77 | Calculated Property |
| η | 0.0000835 | Pa×s | 637.05 | Calculated Property |
| η | 0.0000684 | Pa×s | 665.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, ethyl tridecyl ester.
Sources
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