- InChI
- InChI=1S/C25H38O6/c1-3-5-6-7-8-9-10-13-16-30-23(26)21-14-11-12-15-22(21)24(27)31-19-25(4-2)17-28-20-29-18-25/h11-12,14-15H,3-10,13,16-20H2,1-2H3
- InChI Key
- BRGJTFZTNFHHCL-UHFFFAOYSA-N
- Formula
- C25H38O6
- SMILES
-
CCCCCCCCCCOC(=O)c1ccccc1C(=O)O
CC1(CC)COCOC1 - Molecular Weight1
- 434.57
- 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° | -358.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1018.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.79 | kJ/mol | Joback Calculated Property |
| log10WS | -6.56 | Crippen Calculated Property | |
| logPoct/wat | 5.542 | Crippen Calculated Property | |
| McVol | 355.110 | ml/mol | McGowan Calculated Property |
| Pc | 1127.59 | kPa | Joback Calculated Property |
| Inp | 3297.00 | NIST | |
| Tboil | 1029.33 | K | Joback Calculated Property |
| Tc | 1260.91 | K | Joback Calculated Property |
| Tfus | 639.19 | K | Joback Calculated Property |
| Vc | 1.349 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1250.24; 1369.36] | J/mol×K | [1029.33; 1260.91] | 
|
| Cp,gas | 1250.24 | J/mol×K | 1029.33 | Joback Calculated Property |
| Cp,gas | 1270.97 | J/mol×K | 1067.93 | Joback Calculated Property |
| Cp,gas | 1291.14 | J/mol×K | 1106.52 | Joback Calculated Property |
| Cp,gas | 1310.91 | J/mol×K | 1145.12 | Joback Calculated Property |
| Cp,gas | 1330.43 | J/mol×K | 1183.72 | Joback Calculated Property |
| Cp,gas | 1349.86 | J/mol×K | 1222.31 | Joback Calculated Property |
| Cp,gas | 1369.36 | J/mol×K | 1260.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, decyl 5-ethyl-1,3-dioxan-5-yl ester.
Sources
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