- InChI
- InChI=1S/C18H32O4/c1-5-21-17(19)11-6-7-12-18(20)22-14-13-16(4)10-8-9-15(2)3/h9,16H,5-8,10-14H2,1-4H3
- InChI Key
- BSVJZZVSVGXMRF-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
-
CCOC(=O)CCCCC(=O)OCCC(C)CCC=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 | 0.8340 | Relay (1.0) Calculated Property | |
| ΔfG° | -297.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -968.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.426 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Pc | 1285.59 | kPa | Joback Calculated Property |
| Inp | 2097.00 | NIST | |
| Tboil | 599.11 | K | Relay (1.0) Calculated Property |
| Tc | 757.76 | K | Relay (1.0) Calculated Property |
| Tfus | 241.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.010 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [825.34; 914.70] | J/mol×K | [767.42; 952.49] | 
|
| Cp,gas | 825.34 | J/mol×K | 767.42 | Joback Calculated Property |
| Cp,gas | 842.48 | J/mol×K | 798.27 | Joback Calculated Property |
| Cp,gas | 858.70 | J/mol×K | 829.11 | Joback Calculated Property |
| Cp,gas | 874.00 | J/mol×K | 859.96 | Joback Calculated Property |
| Cp,gas | 888.43 | J/mol×K | 890.80 | Joback Calculated Property |
| Cp,gas | 901.98 | J/mol×K | 921.65 | Joback Calculated Property |
| Cp,gas | 914.70 | J/mol×K | 952.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, «beta»-citronellyl ethyl ester.
Sources
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