- InChI
- InChI=1S/C21H30O5/c1-17(2)16-25-20(23)9-7-5-3-4-6-8-10-21(24)26-19-13-11-18(15-22)12-14-19/h11-15,17H,3-10,16H2,1-2H3
- InChI Key
- KOPYQTXAJOPCLA-UHFFFAOYSA-N
- Formula
- C21H30O5
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc
c(C=O)cc1 - Molecular Weight1
- 362.46
- 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° | -341.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -832.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.92 | kJ/mol | Joback Calculated Property |
| log10WS | -5.67 | Crippen Calculated Property | |
| logPoct/wat | 4.724 | Crippen Calculated Property | |
| McVol | 299.440 | ml/mol | McGowan Calculated Property |
| Pc | 1328.10 | kPa | Joback Calculated Property |
| Inp | [2839.00; 2839.00] |
|
|
| Inp | 2839.00 | NIST | |
| Inp | 2839.00 | NIST | |
| Tboil | 912.34 | K | Joback Calculated Property |
| Tc | 1121.72 | K | Joback Calculated Property |
| Tfus | 536.69 | K | Joback Calculated Property |
| Vc | 1.163 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [953.31; 1022.59] | J/mol×K | [912.34; 1121.72] |
|
| Cp,gas | 953.31 | J/mol×K | 912.34 | Joback Calculated Property |
| Cp,gas | 967.87 | J/mol×K | 947.24 | Joback Calculated Property |
| Cp,gas | 981.18 | J/mol×K | 982.13 | Joback Calculated Property |
| Cp,gas | 993.29 | J/mol×K | 1017.03 | Joback Calculated Property |
| Cp,gas | 1004.20 | J/mol×K | 1051.93 | Joback Calculated Property |
| Cp,gas | 1013.96 | J/mol×K | 1086.83 | Joback Calculated Property |
| Cp,gas | 1022.59 | J/mol×K | 1121.72 | Joback Calculated Property |
| η | [0.0000467; 0.0005594] | Pa×s | [536.69; 912.34] |
|
| η | 0.0005594 | Pa×s | 536.69 | Joback Calculated Property |
| η | 0.0002979 | Pa×s | 599.30 | Joback Calculated Property |
| η | 0.0001787 | Pa×s | 661.91 | Joback Calculated Property |
| η | 0.0001171 | Pa×s | 724.51 | Joback Calculated Property |
| η | 0.0000821 | Pa×s | 787.12 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 849.73 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 912.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-formylphenyl isobutyl ester.
Sources
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