- InChI
- InChI=1S/C17H26O4/c1-4-7-8-9-14-20-16(18)12-10-13-17(19)21-15(6-3)11-5-2/h7-8,15H,4,6,9-10,12-14H2,1-3H3/b8-7-
- InChI Key
- SWOXRQBHHSGLHO-FPLPWBNLSA-N
- Formula
- C17H26O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCCC=CC
C - Molecular Weight1
- 294.39
- 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° | -95.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.42 | Crippen Calculated Property | |
| logPoct/wat | 3.401 | Crippen Calculated Property | |
| McVol | 252.370 | ml/mol | McGowan Calculated Property |
| Pc | 1552.45 | kPa | Joback Calculated Property |
| Inp | [1995.00; 1995.00] |
|
|
| Inp | 1995.00 | NIST | |
| Inp | 1995.00 | NIST | |
| Tboil | 753.66 | K | Joback Calculated Property |
| Tc | 949.59 | K | Joback Calculated Property |
| Tfus | 511.69 | K | Joback Calculated Property |
| Vc | 0.972 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [720.79; 803.79] | J/mol×K | [753.66; 949.59] |
|
| Cp,gas | 720.79 | J/mol×K | 753.66 | Joback Calculated Property |
| Cp,gas | 736.83 | J/mol×K | 786.31 | Joback Calculated Property |
| Cp,gas | 751.96 | J/mol×K | 818.97 | Joback Calculated Property |
| Cp,gas | 766.21 | J/mol×K | 851.62 | Joback Calculated Property |
| Cp,gas | 779.58 | J/mol×K | 884.28 | Joback Calculated Property |
| Cp,gas | 792.11 | J/mol×K | 916.93 | Joback Calculated Property |
| Cp,gas | 803.79 | J/mol×K | 949.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl cis-hex-3-enyl ester.
Sources
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