- InChI
- InChI=1S/C27H42O6/c1-3-5-6-7-8-9-10-11-12-15-18-32-25(28)23-16-13-14-17-24(23)26(29)33-21-27(4-2)19-30-22-31-20-27/h13-14,16-17H,3-12,15,18-22H2,1-2H3
- InChI Key
- CMOQWNPBWLNGRA-UHFFFAOYSA-N
- Formula
- C27H42O6
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)OCC1(CC)COCOC1 - Molecular Weight1
- 462.62
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -341.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1059.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.24 | kJ/mol | Joback Calculated Property |
| log10WS | -7.40 | Crippen Calculated Property | |
| logPoct/wat | 6.322 | Crippen Calculated Property | |
| McVol | 383.290 | ml/mol | McGowan Calculated Property |
| Pc | 995.13 | kPa | Joback Calculated Property |
| Inp | 2105.00 | NIST | |
| Tboil | 1075.09 | K | Joback Calculated Property |
| Tc | 1316.63 | K | Joback Calculated Property |
| Tfus | 661.73 | K | Joback Calculated Property |
| Vc | 1.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1381.02; 1511.99] | J/mol×K | [1075.09; 1316.63] | 
|
| Cp,gas | 1381.02 | J/mol×K | 1075.09 | Joback Calculated Property |
| Cp,gas | 1403.46 | J/mol×K | 1115.35 | Joback Calculated Property |
| Cp,gas | 1425.41 | J/mol×K | 1155.60 | Joback Calculated Property |
| Cp,gas | 1447.05 | J/mol×K | 1195.86 | Joback Calculated Property |
| Cp,gas | 1468.57 | J/mol×K | 1236.12 | Joback Calculated Property |
| Cp,gas | 1490.16 | J/mol×K | 1276.38 | Joback Calculated Property |
| Cp,gas | 1511.99 | J/mol×K | 1316.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, dodecyl 5-ethyl-1,3-dioxan-5-yl ester.
Sources
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