- InChI
- InChI=1S/C14H24O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h7-8H,3-6,9-12H2,1-2H3/b8-7-
- InChI Key
- CAAPKMYFEZDEPA-FPLPWBNLSA-N
- Formula
- C14H24O4
- SMILES
- CCCCOC(=O)CC=CCC(=O)OCCCC
- Molecular Weight1
- 256.34
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.7394 | Relay (... Calculated Property | |
| ΔfG° | -320.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -873.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.74 | kJ/mol | Relay (... Calculated Property |
| IE | 9.20 | eV | Relay (... Calculated Property |
| log10WS | -3.26 | Relay (... Calculated Property | |
| logPoct/wat | 3.009 | Crippen Calculated Property | |
| McVol | 218.700 | ml/mol | McGowan Calculated Property |
| Pc | 1710.36 | kPa | Joback Calculated Property |
| Inp | [1505.00; 1516.00] |
|
|
| Inp | 1516.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Tboil | 557.21 | K | Relay (... Calculated Property |
| Tc | 718.55 | K | Relay (... Calculated Property |
| Tfus | 224.22 | K | Relay (... Calculated Property |
| Vc | 0.813 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.12; 680.26] | J/mol×K | [676.46; 857.71] |
|
| Cp,gas | 600.12 | J/mol×K | 676.46 | Joback Calculated Property |
| Cp,gas | 615.28 | J/mol×K | 706.67 | Joback Calculated Property |
| Cp,gas | 629.69 | J/mol×K | 736.88 | Joback Calculated Property |
| Cp,gas | 643.39 | J/mol×K | 767.08 | Joback Calculated Property |
| Cp,gas | 656.37 | J/mol×K | 797.29 | Joback Calculated Property |
| Cp,gas | 668.66 | J/mol×K | 827.50 | Joback Calculated Property |
| Cp,gas | 680.26 | J/mol×K | 857.71 | Joback Calculated Property |
| η | [0.0001031; 0.0013772] | Pa×s | [386.78; 676.46] |
|
| η | 0.0013772 | Pa×s | 386.78 | Joback Calculated Property |
| η | 0.0007034 | Pa×s | 435.06 | Joback Calculated Property |
| η | 0.0004109 | Pa×s | 483.34 | Joback Calculated Property |
| η | 0.0002647 | Pa×s | 531.62 | Joback Calculated Property |
| η | 0.0001834 | Pa×s | 579.90 | Joback Calculated Property |
| η | 0.0001345 | Pa×s | 628.18 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 676.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibutyl 2-butenedioate, cis.
Sources
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