- InChI
- InChI=1S/C9H14O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h4,6H,3,5,7H2,1-2H3/b6-4+
- InChI Key
- PJYDYWXINWVFDF-GQCTYLIASA-N
- Formula
- C9H14O4
- SMILES
- COC(=O)C=CCCCC(=O)OC
- Molecular Weight1
- 186.21
- 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).
- 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° | -362.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.90 | kJ/mol | Joback Calculated Property |
| log10WS | -1.17 | Crippen Calculated Property | |
| logPoct/wat | 1.059 | Crippen Calculated Property | |
| McVol | 148.250 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Inp | 1420.00 | NIST | |
| Tboil | 562.06 | K | Joback Calculated Property |
| Tc | 751.36 | K | Joback Calculated Property |
| Tfus | 330.43 | K | Joback Calculated Property |
| Vc | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.78; 412.32] | J/mol×K | [562.06; 751.36] | 
|
| Cp,gas | 348.78 | J/mol×K | 562.06 | Joback Calculated Property |
| Cp,gas | 360.67 | J/mol×K | 593.61 | Joback Calculated Property |
| Cp,gas | 372.03 | J/mol×K | 625.16 | Joback Calculated Property |
| Cp,gas | 382.87 | J/mol×K | 656.71 | Joback Calculated Property |
| Cp,gas | 393.20 | J/mol×K | 688.26 | Joback Calculated Property |
| Cp,gas | 403.01 | J/mol×K | 719.81 | Joback Calculated Property |
| Cp,gas | 412.32 | J/mol×K | 751.36 | Joback Calculated Property |
| η | [0.0001773; 0.0018275] | Pa×s | [330.43; 562.06] |
|
| η | 0.0018275 | Pa×s | 330.43 | Joback Calculated Property |
| η | 0.0010108 | Pa×s | 369.04 | Joback Calculated Property |
| η | 0.0006254 | Pa×s | 407.64 | Joback Calculated Property |
| η | 0.0004205 | Pa×s | 446.25 | Joback Calculated Property |
| η | 0.0003012 | Pa×s | 484.85 | Joback Calculated Property |
| η | 0.0002266 | Pa×s | 523.45 | Joback Calculated Property |
| η | 0.0001773 | Pa×s | 562.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-hept-2-enedioic acid dimethyl ester, E.
Sources
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