![2,4-Octadienoic acid, 7-hydroxy-, methyl ester, [R-(E,E)]-](/cid/61-560-2/2-4-Octadienoic-acid-7-hydroxy-methyl-ester-R-E-E.png "2,4-Octadienoic acid, 7-hydroxy-, methyl ester, [R-(E,E)]-")
- InChI
- InChI=1S/C9H14O3/c1-8(10)6-4-3-5-7-9(11)12-2/h3-5,7-8,10H,6H2,1-2H3/b4-3+,7-5+
- InChI Key
- VOFUNAIXXYFZAG-BDWKERMESA-N
- Formula
- C9H14O3
- SMILES
- COC(=O)C=CC=CCC(C)O
- Molecular Weight1
- 170.21
- CAS
- 69734-24-3
- Other Names
-
- Methyl (2E,4E)-7-hydroxy-2,4-octadienoate
- Methyl 2,4-octadienoic acid, 7-hydroxy-, [R-(E,E)]-
- methyl 2,4-octadienoic acid, 7-hydroxy-
- 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° | -187.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.99 | kJ/mol | Joback Calculated Property |
| log10WS | -1.54 | Crippen Calculated Property | |
| logPoct/wat | 1.043 | Crippen Calculated Property | |
| McVol | 142.380 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Inp | 1455.00 | NIST | |
| Tboil | 581.67 | K | Joback Calculated Property |
| Tc | 765.43 | K | Joback Calculated Property |
| Tfus | 299.01 | K | Joback Calculated Property |
| Vc | 0.536 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.81; 397.81] | J/mol×K | [581.67; 765.43] | 
|
| Cp,gas | 340.81 | J/mol×K | 581.67 | Joback Calculated Property |
| Cp,gas | 351.58 | J/mol×K | 612.30 | Joback Calculated Property |
| Cp,gas | 361.81 | J/mol×K | 642.92 | Joback Calculated Property |
| Cp,gas | 371.52 | J/mol×K | 673.55 | Joback Calculated Property |
| Cp,gas | 380.74 | J/mol×K | 704.18 | Joback Calculated Property |
| Cp,gas | 389.50 | J/mol×K | 734.80 | Joback Calculated Property |
| Cp,gas | 397.81 | J/mol×K | 765.43 | Joback Calculated Property |
| η | [0.0000605; 0.0116386] | Pa×s | [299.01; 581.67] |
|
| η | 0.0116386 | Pa×s | 299.01 | Joback Calculated Property |
| η | 0.0026679 | Pa×s | 346.12 | Joback Calculated Property |
| η | 0.0008704 | Pa×s | 393.23 | Joback Calculated Property |
| η | 0.0003609 | Pa×s | 440.34 | Joback Calculated Property |
| η | 0.0001774 | Pa×s | 487.45 | Joback Calculated Property |
| η | 0.0000988 | Pa×s | 534.56 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 581.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Octadienoic acid, 7-hydroxy-, methyl ester, [R-(E,E)]-.
Sources
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