- InChI
- InChI=1S/C19H34O4/c1-3-5-7-9-13-17-23-19(21)15-11-10-14-18(20)22-16-12-8-6-4-2/h6,8H,3-5,7,9-17H2,1-2H3/b8-6+
- InChI Key
- QLHHPAJQCMLCGM-SOFGYWHQSA-N
- Formula
- C19H34O4
- SMILES
- CCC=CCCOC(=O)CCCCC(=O)OCCCCCCC
- Molecular Weight1
- 326.47
- 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 | 0.9276 | Relay (1.0) Calculated Property | |
| ΔfG° | -278.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -978.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.960 | Crippen Calculated Property | |
| McVol | 289.150 | ml/mol | McGowan Calculated Property |
| Pc | 1190.70 | kPa | Joback Calculated Property |
| Inp | 2229.00 | NIST | |
| Tboil | 606.95 | K | Relay (1.0) Calculated Property |
| Tc | 773.54 | K | Relay (1.0) Calculated Property |
| Tfus | 241.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.087 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [884.09; 974.04] | J/mol×K | [790.86; 974.63] | 
|
| Cp,gas | 884.09 | J/mol×K | 790.86 | Joback Calculated Property |
| Cp,gas | 901.36 | J/mol×K | 821.49 | Joback Calculated Property |
| Cp,gas | 917.69 | J/mol×K | 852.12 | Joback Calculated Property |
| Cp,gas | 933.10 | J/mol×K | 882.74 | Joback Calculated Property |
| Cp,gas | 947.61 | J/mol×K | 913.37 | Joback Calculated Property |
| Cp,gas | 961.25 | J/mol×K | 944.00 | Joback Calculated Property |
| Cp,gas | 974.04 | J/mol×K | 974.63 | Joback Calculated Property |
| η | [0.0000533; 0.0008689] | Pa×s | [443.13; 790.86] |
|
| η | 0.0008689 | Pa×s | 443.13 | Joback Calculated Property |
| η | 0.0004171 | Pa×s | 501.08 | Joback Calculated Property |
| η | 0.0002331 | Pa×s | 559.04 | Joback Calculated Property |
| η | 0.0001453 | Pa×s | 617.00 | Joback Calculated Property |
| η | 0.0000983 | Pa×s | 674.95 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 732.90 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 790.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, heptyl trans-hex-3-enyl ester.
Sources
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