- InChI
- InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1
- InChI Key
- LDLDJEAVRNAEBW-SCSAIBSYSA-N
- Formula
- C5H10O3
- SMILES
- COC(=O)CC(C)O
- Molecular Weight1
- 118.13
- CAS
- 53562-86-0
- Other Names
-
- Methyl (S)-(+)-3-hydroxybutyrate
- Butanoic acid, 3-hydroxy-, methyl ester, (3S)-
- (+)-(3S)-3-Hydroxybutanoic acid methyl ester
- (S)-3-Hydroxybutanoic acid methyl ester
- (S)-Methyl 3-hydroxybutanoate
- (.+/-.)-3-Hydroxybutyric acid, methyl ester
- methyl (S)-3-hydroxybutyrate
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -381.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.17 | kJ/mol | Joback Calculated Property |
| log10WS | -0.15 | Crippen Calculated Property | |
| logPoct/wat | -0.070 | Crippen Calculated Property | |
| McVol | 94.620 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Tboil | 481.83 | K | Joback Calculated Property |
| Tc | 657.66 | K | Joback Calculated Property |
| Tfus | 264.09 | K | Joback Calculated Property |
| Vc | 0.352 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.80; 248.43] | J/mol×K | [481.83; 657.66] | 
|
| Cp,gas | 204.80 | J/mol×K | 481.83 | Joback Calculated Property |
| Cp,gas | 212.77 | J/mol×K | 511.13 | Joback Calculated Property |
| Cp,gas | 220.46 | J/mol×K | 540.44 | Joback Calculated Property |
| Cp,gas | 227.87 | J/mol×K | 569.74 | Joback Calculated Property |
| Cp,gas | 235.00 | J/mol×K | 599.05 | Joback Calculated Property |
| Cp,gas | 241.86 | J/mol×K | 628.35 | Joback Calculated Property |
| Cp,gas | 248.43 | J/mol×K | 657.66 | Joback Calculated Property |
| η | [0.0001769; 0.0255824] | Pa×s | [264.09; 481.83] |
|
| η | 0.0255824 | Pa×s | 264.09 | Joback Calculated Property |
| η | 0.0067671 | Pa×s | 300.38 | Joback Calculated Property |
| η | 0.0023843 | Pa×s | 336.67 | Joback Calculated Property |
| η | 0.0010292 | Pa×s | 372.96 | Joback Calculated Property |
| η | 0.0005156 | Pa×s | 409.25 | Joback Calculated Property |
| η | 0.0002891 | Pa×s | 445.54 | Joback Calculated Property |
| η | 0.0001769 | Pa×s | 481.83 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 336.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-hydroxy-, methyl ester, (S)-.
Sources
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