- InChI
- InChI=1S/C18H34O5/c1-5-6-7-8-9-10-11-12-22-16(19)13-21-14-17(20)23-15-18(2,3)4/h5-15H2,1-4H3
- InChI Key
- HNXVKDWSMQLAPG-UHFFFAOYSA-N
- Formula
- C18H34O5
- SMILES
-
CCCCCCCCCOC(=O)COCC(=O)OCC(C)(
C)C - Molecular Weight1
- 330.46
- 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 | 0.9635 | Relay (1.0) Calculated Property | |
| ΔfG° | -469.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1175.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.886 | Crippen Calculated Property | |
| McVol | 285.230 | ml/mol | McGowan Calculated Property |
| Pc | 1229.42 | kPa | Joback Calculated Property |
| Inp | [2625.00; 2625.00] |
|
|
| Inp | 2625.00 | NIST | |
| Inp | 2625.00 | NIST | |
| Tboil | 611.96 | K | Relay (1.0) Calculated Property |
| Tc | 770.47 | K | Relay (1.0) Calculated Property |
| Tfus | 297.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.093 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [881.82; 970.72] | J/mol×K | [783.01; 967.20] |
|
| Cp,gas | 881.82 | J/mol×K | 783.01 | Joback Calculated Property |
| Cp,gas | 899.09 | J/mol×K | 813.71 | Joback Calculated Property |
| Cp,gas | 915.35 | J/mol×K | 844.41 | Joback Calculated Property |
| Cp,gas | 930.63 | J/mol×K | 875.10 | Joback Calculated Property |
| Cp,gas | 944.94 | J/mol×K | 905.80 | Joback Calculated Property |
| Cp,gas | 958.30 | J/mol×K | 936.50 | Joback Calculated Property |
| Cp,gas | 970.72 | J/mol×K | 967.20 | Joback Calculated Property |
| η | [0.0000431; 0.0006811] | Pa×s | [461.59; 783.01] |
|
| η | 0.0006811 | Pa×s | 461.59 | Joback Calculated Property |
| η | 0.0003384 | Pa×s | 515.16 | Joback Calculated Property |
| η | 0.0001918 | Pa×s | 568.73 | Joback Calculated Property |
| η | 0.0001199 | Pa×s | 622.30 | Joback Calculated Property |
| η | 0.0000808 | Pa×s | 675.87 | Joback Calculated Property |
| η | 0.0000576 | Pa×s | 729.44 | Joback Calculated Property |
| η | 0.0000431 | Pa×s | 783.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, neopentyl nonyl ester.
Sources
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