- InChI
- InChI=1S/C10H20O3/c1-6-7-8(11)13-10(4,5)9(2,3)12/h12H,6-7H2,1-5H3
- InChI Key
- QFBDBBGTTGIOGF-UHFFFAOYSA-N
- Formula
- C10H20O3
- SMILES
- CCCC(=O)OC(C)(C)C(C)(C)O
- Molecular Weight1
- 188.26
- 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° | -331.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.10 | kJ/mol | Joback Calculated Property |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 1.879 | Crippen Calculated Property | |
| McVol | 165.070 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Inp | [1076.00; 1079.00] |
|
|
| Inp | 1076.00 | NIST | |
| Inp | 1079.00 | NIST | |
| Inp | 1076.00 | NIST | |
| Tboil | 590.21 | K | Joback Calculated Property |
| Tc | 773.51 | K | Joback Calculated Property |
| Tfus | 340.28 | K | Joback Calculated Property |
| Vc | 0.617 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.05; 505.24] | J/mol×K | [590.21; 773.51] |
|
| Cp,gas | 435.05 | J/mol×K | 590.21 | Joback Calculated Property |
| Cp,gas | 448.48 | J/mol×K | 620.76 | Joback Calculated Property |
| Cp,gas | 461.18 | J/mol×K | 651.31 | Joback Calculated Property |
| Cp,gas | 473.17 | J/mol×K | 681.86 | Joback Calculated Property |
| Cp,gas | 484.49 | J/mol×K | 712.41 | Joback Calculated Property |
| Cp,gas | 495.17 | J/mol×K | 742.96 | Joback Calculated Property |
| Cp,gas | 505.24 | J/mol×K | 773.51 | Joback Calculated Property |
| η | [0.0000636; 0.0073933] | Pa×s | [340.28; 590.21] |
|
| η | 0.0073933 | Pa×s | 340.28 | Joback Calculated Property |
| η | 0.0021726 | Pa×s | 381.94 | Joback Calculated Property |
| η | 0.0008123 | Pa×s | 423.59 | Joback Calculated Property |
| η | 0.0003622 | Pa×s | 465.25 | Joback Calculated Property |
| η | 0.0001844 | Pa×s | 506.90 | Joback Calculated Property |
| η | 0.0001041 | Pa×s | 548.56 | Joback Calculated Property |
| η | 0.0000636 | Pa×s | 590.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butane-2,3-diol mono-butanoate, #1.
Sources
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