- InChI
- InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-13-16-23-31-27(29)20-14-15-21-28(30)32-24-22-26(4)19-17-18-25(2)3/h18,26H,5-17,19-24H2,1-4H3
- InChI Key
- IQLYIJFJWLLGEX-UHFFFAOYSA-N
- Formula
- C28H52O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCC(=O)OCC
C(C)CCC=C(C)C - Molecular Weight1
- 452.71
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 1.1988 | Relay (... Calculated Property | |
| ΔfG° | -213.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1162.09 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 69.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.44 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -7.23 | Relay (... Calculated Property | |
| logPoct/wat | 8.327 | Crippen Calculated Property | |
| McVol | 415.960 | ml/mol | McGowan Calculated Property |
| Pc | 711.49 | kPa | Joback Calculated Property |
| Inp | [3066.00; 3066.00] |
|
|
| Inp | 3066.00 | NIST | |
| Inp | 3066.00 | NIST | |
| Tboil | 671.92 | K | Relay (... Calculated Property |
| Tc | 839.15 | K | Relay (... Calculated Property |
| Tfus | 273.19 | K | Relay (... Calculated Property |
| Vc | 1.559 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1446.41; 1552.74] | J/mol×K | [996.22; 1230.18] |
|
| Cp,gas | 1446.41 | J/mol×K | 996.22 | Joback Calculated Property |
| Cp,gas | 1468.21 | J/mol×K | 1035.21 | Joback Calculated Property |
| Cp,gas | 1488.26 | J/mol×K | 1074.21 | Joback Calculated Property |
| Cp,gas | 1506.66 | J/mol×K | 1113.20 | Joback Calculated Property |
| Cp,gas | 1523.48 | J/mol×K | 1152.19 | Joback Calculated Property |
| Cp,gas | 1538.81 | J/mol×K | 1191.19 | Joback Calculated Property |
| Cp,gas | 1552.74 | J/mol×K | 1230.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, «beta»-citronellyl dodecyl ester.
Sources
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