- InChI
- InChI=1S/C18H32O4/c1-4-5-6-7-8-9-14-21-17(19)11-10-12-18(20)22-15-13-16(2)3/h13H,4-12,14-15H2,1-3H3
- InChI Key
- JEIDNXVGFCEODH-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
-
CCCCCCCCOC(=O)CCCC(=O)OCC=C(C)
C - Molecular Weight1
- 312.44
- 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 | 0.8858 | Relay (1.0) Calculated Property | |
| ΔfG° | -295.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -939.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.570 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Pc | 1278.25 | kPa | Joback Calculated Property |
| Inp | [2202.00; 2202.00] |
|
|
| Inp | 2202.00 | NIST | |
| Inp | 2202.00 | NIST | |
| Tboil | 604.64 | K | Relay (1.0) Calculated Property |
| Tc | 767.19 | K | Relay (1.0) Calculated Property |
| Tfus | 266.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.036 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [824.84; 913.59] | J/mol×K | [767.86; 951.28] |
|
| Cp,gas | 824.84 | J/mol×K | 767.86 | Joback Calculated Property |
| Cp,gas | 841.82 | J/mol×K | 798.43 | Joback Calculated Property |
| Cp,gas | 857.90 | J/mol×K | 829.00 | Joback Calculated Property |
| Cp,gas | 873.09 | J/mol×K | 859.57 | Joback Calculated Property |
| Cp,gas | 887.43 | J/mol×K | 890.14 | Joback Calculated Property |
| Cp,gas | 900.92 | J/mol×K | 920.71 | Joback Calculated Property |
| Cp,gas | 913.59 | J/mol×K | 951.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-enyl octyl ester.
Sources
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