- InChI
- InChI=1S/C18H30O4/c1-6-7-9-16(12-14(2)3)22-18(20)11-8-10-17(19)21-13-15(4)5/h14-16H,6,8,10-13H2,1-5H3
- InChI Key
- ZFZJTOQAFMZTTM-UHFFFAOYSA-N
- Formula
- C18H30O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCC(=O)OC
C(C)C - Molecular Weight1
- 310.43
- 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 | 0.7404 | Relay (1.0) Calculated Property | |
| ΔfG° | -171.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.727 | Crippen Calculated Property | |
| McVol | 270.760 | ml/mol | McGowan Calculated Property |
| Pc | 1402.74 | kPa | Joback Calculated Property |
| Inp | 3307.00 | NIST | |
| Tboil | 571.52 | K | Relay (1.0) Calculated Property |
| Tc | 753.19 | K | Relay (1.0) Calculated Property |
| Tfus | 260.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.982 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [803.50; 891.84] | J/mol×K | [771.50; 966.35] | 
|
| Cp,gas | 803.50 | J/mol×K | 771.50 | Joback Calculated Property |
| Cp,gas | 820.75 | J/mol×K | 803.98 | Joback Calculated Property |
| Cp,gas | 836.98 | J/mol×K | 836.45 | Joback Calculated Property |
| Cp,gas | 852.19 | J/mol×K | 868.93 | Joback Calculated Property |
| Cp,gas | 866.40 | J/mol×K | 901.40 | Joback Calculated Property |
| Cp,gas | 879.61 | J/mol×K | 933.88 | Joback Calculated Property |
| Cp,gas | 891.84 | J/mol×K | 966.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 2-methyloct-5-yn-4-yl ester.
Sources
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