- InChI
- InChI=1S/C26H34O4/c1-21(2)20-29-25(27)14-10-5-3-4-6-11-15-26(28)30-24-18-16-23(17-19-24)22-12-8-7-9-13-22/h7-9,12-13,16-19,21H,3-6,10-11,14-15,20H2,1-2H3
- InChI Key
- WTPSPOGMEPKVAN-UHFFFAOYSA-N
- Formula
- C26H34O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc
c(-c2ccccc2)cc1 - Molecular Weight1
- 410.55
- 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° | -87.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.61 | kJ/mol | Joback Calculated Property |
| log10WS | -8.03 | Crippen Calculated Property | |
| logPoct/wat | 6.579 | Crippen Calculated Property | |
| McVol | 344.560 | ml/mol | McGowan Calculated Property |
| Pc | 1135.96 | kPa | Joback Calculated Property |
| Inp | [3307.00; 3307.00] |
|
|
| Inp | 3307.00 | NIST | |
| Inp | 3307.00 | NIST | |
| Tboil | 1004.76 | K | Joback Calculated Property |
| Tc | 1232.71 | K | Joback Calculated Property |
| Tfus | 577.46 | K | Joback Calculated Property |
| Vc | 1.317 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1138.11; 1204.48] | J/mol×K | [1004.76; 1232.71] |
|
| Cp,gas | 1138.11 | J/mol×K | 1004.76 | Joback Calculated Property |
| Cp,gas | 1152.68 | J/mol×K | 1042.75 | Joback Calculated Property |
| Cp,gas | 1165.77 | J/mol×K | 1080.74 | Joback Calculated Property |
| Cp,gas | 1177.42 | J/mol×K | 1118.73 | Joback Calculated Property |
| Cp,gas | 1187.72 | J/mol×K | 1156.72 | Joback Calculated Property |
| Cp,gas | 1196.72 | J/mol×K | 1194.72 | Joback Calculated Property |
| Cp,gas | 1204.48 | J/mol×K | 1232.71 | Joback Calculated Property |
| η | [0.0000215; 0.0002930] | Pa×s | [577.46; 1004.76] |
|
| η | 0.0002930 | Pa×s | 577.46 | Joback Calculated Property |
| η | 0.0001492 | Pa×s | 648.68 | Joback Calculated Property |
| η | 0.0000869 | Pa×s | 719.89 | Joback Calculated Property |
| η | 0.0000557 | Pa×s | 791.11 | Joback Calculated Property |
| η | 0.0000385 | Pa×s | 862.33 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 933.54 | Joback Calculated Property |
| η | 0.0000215 | Pa×s | 1004.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl 4-phenylphenyl ester.
Sources
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