- InChI
- InChI=1S/C18H34O5/c1-5-7-11-16(9-6-2)23-18(20)14-21-13-17(19)22-12-8-10-15(3)4/h15-16H,5-14H2,1-4H3
- InChI Key
- FXRLYVDCESVQQD-UHFFFAOYSA-N
- Formula
- C18H34O5
- SMILES
-
CCCCC(CCC)OC(=O)COCC(=O)OCCCC(
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 | 0.9364 | Relay (1.0) Calculated Property | |
| ΔfG° | -477.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1180.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.885 | Crippen Calculated Property | |
| McVol | 285.230 | ml/mol | McGowan Calculated Property |
| Pc | 1226.84 | kPa | Joback Calculated Property |
| Inp | [2533.00; 2533.00] |
|
|
| Inp | 2533.00 | NIST | |
| Inp | 2533.00 | NIST | |
| Tboil | 606.29 | K | Relay (1.0) Calculated Property |
| Tc | 765.66 | K | Relay (1.0) Calculated Property |
| Tfus | 241.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.066 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [881.46; 970.92] | J/mol×K | [785.36; 968.70] |
|
| Cp,gas | 881.46 | J/mol×K | 785.36 | Joback Calculated Property |
| Cp,gas | 898.90 | J/mol×K | 815.92 | Joback Calculated Property |
| Cp,gas | 915.32 | J/mol×K | 846.47 | Joback Calculated Property |
| Cp,gas | 930.73 | J/mol×K | 877.03 | Joback Calculated Property |
| Cp,gas | 945.13 | J/mol×K | 907.59 | Joback Calculated Property |
| Cp,gas | 958.52 | J/mol×K | 938.14 | Joback Calculated Property |
| Cp,gas | 970.92 | J/mol×K | 968.70 | Joback Calculated Property |
| η | [0.0000450; 0.0010058] | Pa×s | [429.17; 785.36] |
|
| η | 0.0010058 | Pa×s | 429.17 | Joback Calculated Property |
| η | 0.0004376 | Pa×s | 488.53 | Joback Calculated Property |
| η | 0.0002280 | Pa×s | 547.90 | Joback Calculated Property |
| η | 0.0001349 | Pa×s | 607.26 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 666.63 | Joback Calculated Property |
| η | 0.0000611 | Pa×s | 726.00 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 785.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isohexyl oct-4-yl ester.
Sources
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