- InChI
- InChI=1S/C24H46O4/c1-5-6-7-12-17-22(4)28-24(26)19-14-11-9-8-10-13-18-23(25)27-20-15-16-21(2)3/h21-22H,5-20H2,1-4H3
- InChI Key
- CEBCSSIPQCUOQH-UHFFFAOYSA-N
- Formula
- C24H46O4
- SMILES
-
CCCCCCC(C)OC(=O)CCCCCCCCC(=O)O
CCCC(C)C - Molecular Weight1
- 398.62
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1118 | Relay (1.0) Calculated Property | |
| ΔfG° | -474.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1187.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.989 | Crippen Calculated Property | |
| McVol | 363.900 | ml/mol | McGowan Calculated Property |
| Pc | 818.20 | kPa | Joback Calculated Property |
| Inp | 2684.00 | NIST | |
| Tboil | 627.98 | K | Relay (1.0) Calculated Property |
| Tc | 807.04 | K | Relay (1.0) Calculated Property |
| Tfus | 269.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.396 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1199.76; 1299.82] | J/mol×K | [864.28; 1058.16] | 
|
| Cp,gas | 1199.76 | J/mol×K | 864.28 | Joback Calculated Property |
| Cp,gas | 1219.83 | J/mol×K | 896.59 | Joback Calculated Property |
| Cp,gas | 1238.50 | J/mol×K | 928.91 | Joback Calculated Property |
| Cp,gas | 1255.80 | J/mol×K | 961.22 | Joback Calculated Property |
| Cp,gas | 1271.77 | J/mol×K | 993.53 | Joback Calculated Property |
| Cp,gas | 1286.43 | J/mol×K | 1025.84 | Joback Calculated Property |
| Cp,gas | 1299.82 | J/mol×K | 1058.16 | Joback Calculated Property |
| η | [0.0000190; 0.0013933] | Pa×s | [414.90; 864.28] |
|
| η | 0.0013933 | Pa×s | 414.90 | Joback Calculated Property |
| η | 0.0003942 | Pa×s | 489.80 | Joback Calculated Property |
| η | 0.0001559 | Pa×s | 564.69 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 639.59 | Joback Calculated Property |
| η | 0.0000437 | Pa×s | 714.49 | Joback Calculated Property |
| η | 0.0000277 | Pa×s | 789.38 | Joback Calculated Property |
| η | 0.0000190 | Pa×s | 864.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl 2-octyl ester.
Sources
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