- InChI
- InChI=1S/C18H28O4/c1-3-9-16(4-2)22-18(20)13-8-12-17(19)21-14-15-10-6-5-7-11-15/h15-16H,4-8,10-14H2,1-2H3
- InChI Key
- AHYKYOUCDZNQNB-UHFFFAOYSA-N
- Formula
- C18H28O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCC1CCC
CC1 - Molecular Weight1
- 308.41
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -142.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.17 | kJ/mol | Joback Calculated Property |
| log10WS | -4.64 | Crippen Calculated Property | |
| logPoct/wat | 3.625 | Crippen Calculated Property | |
| McVol | 259.900 | ml/mol | McGowan Calculated Property |
| Pc | 1624.60 | kPa | Joback Calculated Property |
| Inp | [2195.00; 2195.00] |
|
|
| Inp | 2195.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Tboil | 791.93 | K | Joback Calculated Property |
| Tc | 1004.07 | K | Joback Calculated Property |
| Tfus | 535.42 | K | Joback Calculated Property |
| Vc | 0.981 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [798.01; 888.81] | J/mol×K | [791.93; 1004.07] |
|
| Cp,gas | 798.01 | J/mol×K | 791.93 | Joback Calculated Property |
| Cp,gas | 816.41 | J/mol×K | 827.29 | Joback Calculated Property |
| Cp,gas | 833.47 | J/mol×K | 862.64 | Joback Calculated Property |
| Cp,gas | 849.23 | J/mol×K | 898.00 | Joback Calculated Property |
| Cp,gas | 863.69 | J/mol×K | 933.36 | Joback Calculated Property |
| Cp,gas | 876.88 | J/mol×K | 968.72 | Joback Calculated Property |
| Cp,gas | 888.81 | J/mol×K | 1004.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl hex-4-yn-3-yl ester.
Sources
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