- InChI
- InChI=1S/C16H30O5/c1-4-5-6-7-10-20-15(17)12-19-13-16(18)21-11-8-9-14(2)3/h14H,4-13H2,1-3H3
- InChI Key
- GWBSKGWDODUPEY-UHFFFAOYSA-N
- Formula
- C16H30O5
- SMILES
- CCCCCCOC(=O)COCC(=O)OCCCC(C)C
- Molecular Weight1
- 302.41
- 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 | 0.9156 | Relay (1.0) Calculated Property | |
| ΔfG° | -644.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1129.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.106 | Crippen Calculated Property | |
| McVol | 257.050 | ml/mol | McGowan Calculated Property |
| Pc | 1319.43 | kPa | Joback Calculated Property |
| Inp | [2466.00; 2466.00] |
|
|
| Inp | 2466.00 | NIST | |
| Inp | 2466.00 | NIST | |
| Tboil | 598.94 | K | Relay (1.0) Calculated Property |
| Tc | 760.52 | K | Relay (1.0) Calculated Property |
| Tfus | 257.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.979 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.67; 880.04] | 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 | 6.29800e+01 | |||
| Coefficient B | 1.35696e+00 | |||
| Coefficient C | -5.49600e-04 | |||
| Coefficient D | 9.70000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 392.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 474.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 549.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 617.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 678.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 732.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 779.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 820.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 853.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 880.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021263; 0.0000930] | Pa×s | [361.97; 614.57] |
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 | -1.37682e+01 | |||
| Coefficient B | 2.75635e+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. | 361.97 | |||
| Temperature range, max. | 614.57 | |||
| η | 0.0021263 | Pa×s | 361.97 | Calculated Property |
| η | 0.0012293 | Pa×s | 390.04 | Calculated Property |
| η | 0.0007649 | Pa×s | 418.10 | Calculated Property |
| η | 0.0005053 | Pa×s | 446.17 | Calculated Property |
| η | 0.0003505 | Pa×s | 474.24 | Calculated Property |
| η | 0.0002533 | Pa×s | 502.31 | Calculated Property |
| η | 0.0001895 | Pa×s | 530.37 | Calculated Property |
| η | 0.0001459 | Pa×s | 558.44 | Calculated Property |
| η | 0.0001152 | Pa×s | 586.51 | Calculated Property |
| η | 0.0000930 | Pa×s | 614.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexyl isohexyl ester.
Sources
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