- InChI
- InChI=1S/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3
- InChI Key
- FHWBTAQRRDZDIY-UHFFFAOYSA-N
- Formula
- C9H18O3
- SMILES
- CCCCCC(O)CC(=O)OC
- Molecular Weight1
- 174.24
- CAS
- 7367-87-5
- Other Names
-
- methyl 3-hydroxyoctanoate
- 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.
- I : 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 | 0.7177 | Relay (1.0) Calculated Property | |
| ΔfG° | -348.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -725.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.491 | Crippen Calculated Property | |
| McVol | 150.980 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Inp | [1243.00; 1243.00] |
|
|
| Inp | 1243.00 | NIST | |
| Inp | 1243.00 | NIST | |
| I | [1807.00; 1850.00] |
|
|
| I | 1807.00 | NIST | |
| I | 1850.00 | NIST | |
| I | 1835.00 | NIST | |
| I | 1850.00 | NIST | |
| I | 1835.00 | NIST | |
| Tboil | 484.35 | K | Relay (1.0) Calculated Property |
| Tc | 679.07 | K | Relay (1.0) Calculated Property |
| Tfus | 272.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.568 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.44; 444.32] | J/mol×K | [573.35; 743.84] |
|
| Cp,gas | 380.44 | J/mol×K | 573.35 | Joback Calculated Property |
| Cp,gas | 392.26 | J/mol×K | 601.77 | Joback Calculated Property |
| Cp,gas | 403.60 | J/mol×K | 630.18 | Joback Calculated Property |
| Cp,gas | 414.48 | J/mol×K | 658.60 | Joback Calculated Property |
| Cp,gas | 424.88 | J/mol×K | 687.01 | Joback Calculated Property |
| Cp,gas | 434.83 | J/mol×K | 715.43 | Joback Calculated Property |
| Cp,gas | 444.32 | J/mol×K | 743.84 | Joback Calculated Property |
| η | [0.0000867; 0.0115627] | Pa×s | [309.17; 573.35] |
|
| η | 0.0115627 | Pa×s | 309.17 | Joback Calculated Property |
| η | 0.0030766 | Pa×s | 353.20 | Joback Calculated Property |
| η | 0.0010979 | Pa×s | 397.23 | Joback Calculated Property |
| η | 0.0004812 | Pa×s | 441.26 | Joback Calculated Property |
| η | 0.0002450 | Pa×s | 485.29 | Joback Calculated Property |
| η | 0.0001395 | Pa×s | 529.32 | Joback Calculated Property |
| η | 0.0000867 | Pa×s | 573.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 3-hydroxy-, methyl ester.
Sources
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