- InChI
- InChI=1S/C26H46O4/c1-21(2)11-9-13-23(5)17-19-29-25(27)15-7-8-16-26(28)30-20-18-24(6)14-10-12-22(3)4/h11-12,23-24H,7-10,13-20H2,1-6H3
- InChI Key
- JYCAVOFTMMNBEY-UHFFFAOYSA-N
- Formula
- C26H46O4
- SMILES
-
CC(C)=CCCC(C)CCOC(=O)CCCCC(=O)
OCCC(C)CCC=C(C)C - Molecular Weight1
- 422.64
- 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 | 1.0161 | Relay (1.0) Calculated Property | |
| ΔfG° | -161.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1089.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.178 | Crippen Calculated Property | |
| McVol | 383.480 | ml/mol | McGowan Calculated Property |
| Pc | 820.07 | kPa | Joback Calculated Property |
| Inp | 2827.00 | NIST | |
| Tboil | 656.17 | K | Relay (1.0) Calculated Property |
| Tc | 820.86 | K | Relay (1.0) Calculated Property |
| Tfus | 257.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.388 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1289.78; 1390.92] | J/mol×K | [954.06; 1168.64] | 
|
| Cp,gas | 1289.78 | J/mol×K | 954.06 | Joback Calculated Property |
| Cp,gas | 1309.68 | J/mol×K | 989.82 | Joback Calculated Property |
| Cp,gas | 1328.27 | J/mol×K | 1025.59 | Joback Calculated Property |
| Cp,gas | 1345.61 | J/mol×K | 1061.35 | Joback Calculated Property |
| Cp,gas | 1361.78 | J/mol×K | 1097.11 | Joback Calculated Property |
| Cp,gas | 1376.86 | J/mol×K | 1132.88 | Joback Calculated Property |
| Cp,gas | 1390.92 | J/mol×K | 1168.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, di(«beta»-citronellyl) ester.
Sources
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