- InChI
- InChI=1S/C21H26O5/c1-2-3-4-5-8-13-25-20(22)15-24-16-21(23)26-19-12-11-17-9-6-7-10-18(17)14-19/h6-7,9-12,14H,2-5,8,13,15-16H2,1H3
- InChI Key
- MFDGDYQBXSGQKY-UHFFFAOYSA-N
- Formula
- C21H26O5
- SMILES
-
CCCCCCCOC(=O)COCC(=O)Oc1ccc2cc
ccc2c1 - Molecular Weight1
- 358.43
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -237.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -682.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.64 | kJ/mol | Joback Calculated Property |
| log10WS | -5.31 | Crippen Calculated Property | |
| logPoct/wat | 4.275 | Crippen Calculated Property | |
| McVol | 284.280 | ml/mol | McGowan Calculated Property |
| Pc | 1481.57 | kPa | Joback Calculated Property |
| Inp | [3491.00; 3491.00] |
|
|
| Inp | 3491.00 | NIST | |
| Inp | 3491.00 | NIST | |
| Tboil | 905.52 | K | Joback Calculated Property |
| Tc | 1119.84 | K | Joback Calculated Property |
| Tfus | 564.62 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [889.06; 957.07] | J/mol×K | [905.52; 1119.84] |
|
| Cp,gas | 889.06 | J/mol×K | 905.52 | Joback Calculated Property |
| Cp,gas | 903.20 | J/mol×K | 941.24 | Joback Calculated Property |
| Cp,gas | 916.17 | J/mol×K | 976.96 | Joback Calculated Property |
| Cp,gas | 928.00 | J/mol×K | 1012.68 | Joback Calculated Property |
| Cp,gas | 938.74 | J/mol×K | 1048.40 | Joback Calculated Property |
| Cp,gas | 948.41 | J/mol×K | 1084.12 | Joback Calculated Property |
| Cp,gas | 957.07 | J/mol×K | 1119.84 | Joback Calculated Property |
| η | [0.0000719; 0.0004745] | Pa×s | [564.62; 905.52] |
|
| η | 0.0004745 | Pa×s | 564.62 | Joback Calculated Property |
| η | 0.0003000 | Pa×s | 621.44 | Joback Calculated Property |
| η | 0.0002049 | Pa×s | 678.25 | Joback Calculated Property |
| η | 0.0001484 | Pa×s | 735.07 | Joback Calculated Property |
| η | 0.0001125 | Pa×s | 791.89 | Joback Calculated Property |
| η | 0.0000886 | Pa×s | 848.70 | Joback Calculated Property |
| η | 0.0000719 | Pa×s | 905.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, heptyl 2-naphthyl ester.
Sources
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