- InChI
- InChI=1S/C24H44O4/c1-5-6-7-8-9-12-19-27-23(25)16-10-11-17-24(26)28-20-18-22(4)15-13-14-21(2)3/h14,22H,5-13,15-20H2,1-4H3
- InChI Key
- MXVHMEMSTPCEMA-UHFFFAOYSA-N
- Formula
- C24H44O4
- SMILES
-
CCCCCCCCOC(=O)CCCCC(=O)OCCC(C)
CCC=C(C)C - Molecular Weight1
- 396.60
- 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 | 1.0578 | Relay (... Calculated Property | |
| ΔfG° | -247.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1082.43 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 58.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.86 | kJ/mol | Relay (... Calculated Property |
| IE | 8.40 | eV | Relay (... Calculated Property |
| log10WS | -5.94 | Relay (... Calculated Property | |
| logPoct/wat | 6.766 | Crippen Calculated Property | |
| McVol | 359.600 | ml/mol | McGowan Calculated Property |
| Pc | 883.14 | kPa | Joback Calculated Property |
| Inp | 2673.00 | NIST | |
| Tboil | 645.00 | K | Relay (... Calculated Property |
| Tc | 810.55 | K | Relay (... Calculated Property |
| Tfus | 256.85 | K | Relay (... Calculated Property |
| Vc | 1.340 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1190.58; 1289.17] | J/mol×K | [904.70; 1107.69] | 
|
| Cp,gas | 1190.58 | J/mol×K | 904.70 | Joback Calculated Property |
| Cp,gas | 1210.08 | J/mol×K | 938.53 | Joback Calculated Property |
| Cp,gas | 1228.28 | J/mol×K | 972.36 | Joback Calculated Property |
| Cp,gas | 1245.25 | J/mol×K | 1006.20 | Joback Calculated Property |
| Cp,gas | 1261.03 | J/mol×K | 1040.03 | Joback Calculated Property |
| Cp,gas | 1275.65 | J/mol×K | 1073.86 | Joback Calculated Property |
| Cp,gas | 1289.17 | J/mol×K | 1107.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, «beta»-citronellyl octyl ester.
Sources
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