- InChI
- InChI=1S/C25H48O5/c1-4-5-6-7-12-15-20-29-24(26)16-13-10-8-9-11-14-17-25(27)30-22-19-23(2)18-21-28-3/h23H,4-22H2,1-3H3
- InChI Key
- WBEFLJUIOHSEJN-UHFFFAOYSA-N
- Formula
- C25H48O5
- SMILES
-
CCCCCCCCOC(=O)CCCCCCCCC(=O)OCC
C(C)CCOC - Molecular Weight1
- 428.65
- 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° | -415.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1186.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.58 | kJ/mol | Joback Calculated Property |
| log10WS | -6.86 | Crippen Calculated Property | |
| logPoct/wat | 6.617 | Crippen Calculated Property | |
| McVol | 383.860 | ml/mol | McGowan Calculated Property |
| Pc | 800.24 | kPa | Joback Calculated Property |
| Inp | [2968.00; 2968.00] |
|
|
| Inp | 2968.00 | NIST | |
| Inp | 2968.00 | NIST | |
| Tboil | 945.96 | K | Joback Calculated Property |
| Tc | 1163.54 | K | Joback Calculated Property |
| Tfus | 523.06 | K | Joback Calculated Property |
| Vc | 1.496 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1313.62; 1409.59] | J/mol×K | [945.96; 1163.54] |
|
| Cp,gas | 1313.62 | J/mol×K | 945.96 | Joback Calculated Property |
| Cp,gas | 1333.88 | J/mol×K | 982.22 | Joback Calculated Property |
| Cp,gas | 1352.40 | J/mol×K | 1018.49 | Joback Calculated Property |
| Cp,gas | 1369.21 | J/mol×K | 1054.75 | Joback Calculated Property |
| Cp,gas | 1384.32 | J/mol×K | 1091.02 | Joback Calculated Property |
| Cp,gas | 1397.77 | J/mol×K | 1127.28 | Joback Calculated Property |
| Cp,gas | 1409.59 | J/mol×K | 1163.54 | Joback Calculated Property |
| η | [0.0000169; 0.0003553] | Pa×s | [523.06; 945.96] |
|
| η | 0.0003553 | Pa×s | 523.06 | Joback Calculated Property |
| η | 0.0001583 | Pa×s | 593.54 | Joback Calculated Property |
| η | 0.0000837 | Pa×s | 664.03 | Joback Calculated Property |
| η | 0.0000501 | Pa×s | 734.51 | Joback Calculated Property |
| η | 0.0000327 | Pa×s | 804.99 | Joback Calculated Property |
| η | 0.0000229 | Pa×s | 875.48 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 945.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 5-methoxy-3-methylpentyl octyl ester.
Sources
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