- InChI
- InChI=1S/C19H34O4/c1-5-14-22-18(20)11-6-7-12-19(21)23-15-13-17(4)10-8-9-16(2)3/h9,17H,5-8,10-15H2,1-4H3
- InChI Key
- JGZDRQVWOPDJRK-UHFFFAOYSA-N
- Formula
- C19H34O4
- SMILES
-
CCCOC(=O)CCCCC(=O)OCCC(C)CCC=C
(C)C - Molecular Weight1
- 326.47
- 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 | 0.8794 | Relay (... Calculated Property | |
| ΔfG° | -289.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -982.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 45.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.73 | kJ/mol | Relay (... Calculated Property |
| IE | 8.33 | eV | Relay (... Calculated Property |
| log10WS | -4.43 | Relay (... Calculated Property | |
| logPoct/wat | 4.816 | Crippen Calculated Property | |
| McVol | 289.150 | ml/mol | McGowan Calculated Property |
| Pc | 1201.46 | kPa | Joback Calculated Property |
| Inp | 2181.00 | NIST | |
| Tboil | 609.38 | K | Relay (... Calculated Property |
| Tc | 765.04 | K | Relay (... Calculated Property |
| Tfus | 239.86 | K | Relay (... Calculated Property |
| Vc | 1.065 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [884.21; 975.09] | J/mol×K | [790.30; 976.49] | 
|
| Cp,gas | 884.21 | J/mol×K | 790.30 | Joback Calculated Property |
| Cp,gas | 901.71 | J/mol×K | 821.33 | Joback Calculated Property |
| Cp,gas | 918.23 | J/mol×K | 852.36 | Joback Calculated Property |
| Cp,gas | 933.81 | J/mol×K | 883.40 | Joback Calculated Property |
| Cp,gas | 948.46 | J/mol×K | 914.43 | Joback Calculated Property |
| Cp,gas | 962.21 | J/mol×K | 945.46 | Joback Calculated Property |
| Cp,gas | 975.09 | J/mol×K | 976.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, «beta»-citronellyl propyl ester.
Sources
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