- InChI
- InChI=1S/C17H32O5/c1-4-5-6-7-8-9-11-21-16(18)13-20-14-17(19)22-12-10-15(2)3/h15H,4-14H2,1-3H3
- InChI Key
- IVTDOLABIWCOBZ-UHFFFAOYSA-N
- Formula
- C17H32O5
- SMILES
- CCCCCCCCOC(=O)COCC(=O)OCCC(C)C
- Molecular Weight1
- 316.43
- 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 | 0.9504 | Relay (1.0) Calculated Property | |
| ΔfG° | -635.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1143.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.496 | Crippen Calculated Property | |
| McVol | 271.140 | ml/mol | McGowan Calculated Property |
| Pc | 1232.01 | kPa | Joback Calculated Property |
| Inp | [2589.00; 2589.00] |
|
|
| Inp | 2589.00 | NIST | |
| Inp | 2589.00 | NIST | |
| Tboil | 607.08 | K | Relay (1.0) Calculated Property |
| Tc | 769.85 | K | Relay (1.0) Calculated Property |
| Tfus | 258.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.037 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.88; 931.63] | 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 | 6.20710e+01 | |||
| Coefficient B | 1.45196e+00 | |||
| Coefficient C | -6.04000e-04 | |||
| Coefficient D | 2.16000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 413.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 501.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 580.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 652.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 717.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 774.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 824.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 867.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 903.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 931.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018647; 0.0000822] | Pa×s | [373.24; 631.20] |
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 | -1.39219e+01 | |||
| Coefficient B | 2.85051e+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. | 373.24 | |||
| Temperature range, max. | 631.20 | |||
| η | 0.0018647 | Pa×s | 373.24 | Calculated Property |
| η | 0.0010816 | Pa×s | 401.90 | Calculated Property |
| η | 0.0006745 | Pa×s | 430.56 | Calculated Property |
| η | 0.0004462 | Pa×s | 459.23 | Calculated Property |
| η | 0.0003099 | Pa×s | 487.89 | Calculated Property |
| η | 0.0002241 | Pa×s | 516.55 | Calculated Property |
| η | 0.0001676 | Pa×s | 545.21 | Calculated Property |
| η | 0.0001291 | Pa×s | 573.88 | Calculated Property |
| η | 0.0001019 | Pa×s | 602.54 | Calculated Property |
| η | 0.0000822 | Pa×s | 631.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3-methylbutyl octyl ester.
Sources
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