- InChI
- InChI=1S/C15H28O5/c1-4-5-6-7-9-19-14(16)11-18-12-15(17)20-10-8-13(2)3/h13H,4-12H2,1-3H3
- InChI Key
- KEQMWUROGDRQFC-UHFFFAOYSA-N
- Formula
- C15H28O5
- SMILES
- CCCCCCOC(=O)COCC(=O)OCCC(C)C
- Molecular Weight1
- 288.38
- 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 | 0.8787 | Relay (1.0) Calculated Property | |
| ΔfG° | -652.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1107.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.716 | Crippen Calculated Property | |
| McVol | 242.960 | ml/mol | McGowan Calculated Property |
| Pc | 1416.50 | kPa | Joback Calculated Property |
| Inp | [2347.00; 2347.00] |
|
|
| Inp | 2347.00 | NIST | |
| Inp | 2347.00 | NIST | |
| Tboil | 589.53 | K | Relay (1.0) Calculated Property |
| Tc | 749.89 | K | Relay (1.0) Calculated Property |
| Tfus | 248.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.927 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.45; 828.45] | 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 | 6.38890e+01 | |||
| Coefficient B | 1.26196e+00 | |||
| Coefficient C | -4.95200e-04 | |||
| Coefficient D | -2.20000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 371.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 448.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 518.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 582.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 639.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 690.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 734.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 772.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 803.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 828.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024160; 0.0001044] | Pa×s | [350.70; 598.30] |
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 | -1.36167e+01 | |||
| Coefficient B | 2.66219e+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. | 350.70 | |||
| Temperature range, max. | 598.30 | |||
| η | 0.0024160 | Pa×s | 350.70 | Calculated Property |
| η | 0.0013909 | Pa×s | 378.21 | Calculated Property |
| η | 0.0008630 | Pa×s | 405.72 | Calculated Property |
| η | 0.0005689 | Pa×s | 433.23 | Calculated Property |
| η | 0.0003942 | Pa×s | 460.75 | Calculated Property |
| η | 0.0002846 | Pa×s | 488.26 | Calculated Property |
| η | 0.0002128 | Pa×s | 515.77 | Calculated Property |
| η | 0.0001639 | Pa×s | 543.28 | Calculated Property |
| η | 0.0001294 | Pa×s | 570.79 | Calculated Property |
| η | 0.0001044 | Pa×s | 598.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexyl 3-methylbutyl ester.
Sources
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