- InChI
- InChI=1S/C12H18O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h5-10H2,1-2H3
- InChI Key
- PUPSLSCNSGWMAI-UHFFFAOYSA-N
- Formula
- C12H18O4
- SMILES
- COC(=O)CCCC#CCCCC(=O)OC
- Molecular Weight1
- 226.27
- Other Names
-
- Dec-5-ynedioic acid dimethyl ester
- 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 | 0.6479 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -615.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.676 | Crippen Calculated Property | |
| McVol | 186.220 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Inp | [1620.00; 1620.00] |
|
|
| Inp | 1620.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Tboil | 536.74 | K | Relay (1.0) Calculated Property |
| Tc | 725.02 | K | Relay (1.0) Calculated Property |
| Tfus | 292.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.683 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.63; 548.19] | J/mol×K | [635.54; 830.62] |
|
| Cp,gas | 474.63 | J/mol×K | 635.54 | Joback Calculated Property |
| Cp,gas | 488.55 | J/mol×K | 668.05 | Joback Calculated Property |
| Cp,gas | 501.81 | J/mol×K | 700.57 | Joback Calculated Property |
| Cp,gas | 514.41 | J/mol×K | 733.08 | Joback Calculated Property |
| Cp,gas | 526.34 | J/mol×K | 765.59 | Joback Calculated Property |
| Cp,gas | 537.60 | J/mol×K | 798.11 | Joback Calculated Property |
| Cp,gas | 548.19 | J/mol×K | 830.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Decynedioic acid, dimethyl ester.
Sources
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