- InChI
- InChI=1S/C25H40O5/c1-4-5-6-13-20-28-24(26)14-11-9-7-8-10-12-15-25(27)30-23-18-16-22(17-19-23)29-21(2)3/h16-19,21H,4-15,20H2,1-3H3
- InChI Key
- PVYAKQAULGFOSX-UHFFFAOYSA-N
- Formula
- C25H40O5
- SMILES
-
CCCCCCOC(=O)CCCCCCCCC(=O)Oc1cc
c(OC(C)C)cc1 - Molecular Weight1
- 420.58
- 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° | -312.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -961.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.52 | kJ/mol | Joback Calculated Property |
| log10WS | -7.58 | Crippen Calculated Property | |
| logPoct/wat | 6.623 | Crippen Calculated Property | |
| McVol | 360.100 | ml/mol | McGowan Calculated Property |
| Pc | 965.07 | kPa | Joback Calculated Property |
| Inp | [3016.00; 3016.00] |
|
|
| Inp | 3016.00 | NIST | |
| Inp | 3016.00 | NIST | |
| Tboil | 977.62 | K | Joback Calculated Property |
| Tc | 1197.02 | K | Joback Calculated Property |
| Tfus | 562.00 | K | Joback Calculated Property |
| Vc | 1.387 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1211.31; 1286.20] | J/mol×K | [977.62; 1197.02] |
|
| Cp,gas | 1211.31 | J/mol×K | 977.62 | Joback Calculated Property |
| Cp,gas | 1227.82 | J/mol×K | 1014.19 | Joback Calculated Property |
| Cp,gas | 1242.67 | J/mol×K | 1050.75 | Joback Calculated Property |
| Cp,gas | 1255.91 | J/mol×K | 1087.32 | Joback Calculated Property |
| Cp,gas | 1267.55 | J/mol×K | 1123.89 | Joback Calculated Property |
| Cp,gas | 1277.64 | J/mol×K | 1160.45 | Joback Calculated Property |
| Cp,gas | 1286.20 | J/mol×K | 1197.02 | Joback Calculated Property |
| η | [0.0000178; 0.0002600] | Pa×s | [562.00; 977.62] |
|
| η | 0.0002600 | Pa×s | 562.00 | Joback Calculated Property |
| η | 0.0001302 | Pa×s | 631.27 | Joback Calculated Property |
| η | 0.0000747 | Pa×s | 700.54 | Joback Calculated Property |
| η | 0.0000474 | Pa×s | 769.81 | Joback Calculated Property |
| η | 0.0000324 | Pa×s | 839.08 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 908.35 | Joback Calculated Property |
| η | 0.0000178 | Pa×s | 977.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, hexyl 4-isopropoxyphenyl ester.
Sources
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