- InChI
- InChI=1S/C25H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-29-24(26)21-28-22-25(27)30-20-18-23(2)3/h23H,4-22H2,1-3H3
- InChI Key
- OLDKODNEINLUBI-UHFFFAOYSA-N
- Formula
- C25H48O5
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)COCC(=O)
OCCC(C)C - Molecular Weight1
- 428.65
- 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 | 1.2320 | Relay (1.0) Calculated Property | |
| ΔfG° | -568.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1302.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.617 | Crippen Calculated Property | |
| McVol | 383.860 | ml/mol | McGowan Calculated Property |
| Pc | 764.37 | kPa | Joback Calculated Property |
| Inp | [3548.00; 3548.00] |
|
|
| Inp | 3548.00 | NIST | |
| Inp | 3548.00 | NIST | |
| Tboil | 662.77 | K | Relay (1.0) Calculated Property |
| Tc | 833.52 | K | Relay (1.0) Calculated Property |
| Tfus | 295.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.478 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.59; 1344.36] | 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 | 5.47990e+01 | |||
| Coefficient B | 2.21196e+00 | |||
| Coefficient C | -1.03920e-03 | |||
| Coefficient D | 1.16800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 583.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 712.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 829.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 934.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1028.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1112.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1184.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1247.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1300.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1344.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005911; 0.0000249] | Pa×s | [463.40; 782.12] |
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 | -1.52103e+01 | |||
| Coefficient B | 3.60379e+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. | 463.40 | |||
| Temperature range, max. | 782.12 | |||
| η | 0.0005911 | Pa×s | 463.40 | Calculated Property |
| η | 0.0003403 | Pa×s | 498.81 | Calculated Property |
| η | 0.0002108 | Pa×s | 534.23 | Calculated Property |
| η | 0.0001386 | Pa×s | 569.64 | Calculated Property |
| η | 0.0000957 | Pa×s | 605.05 | Calculated Property |
| η | 0.0000689 | Pa×s | 640.47 | Calculated Property |
| η | 0.0000513 | Pa×s | 675.88 | Calculated Property |
| η | 0.0000393 | Pa×s | 711.29 | Calculated Property |
| η | 0.0000309 | Pa×s | 746.70 | Calculated Property |
| η | 0.0000249 | Pa×s | 782.12 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexadecyl 3-methylbutyl ester.
Sources
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