![[1,1,1-2H3]-4-Benzyloxy-2-butanol](/cid/119-257-5/1-1-1-2H3-4-Benzyloxy-2-butanol.png "[1,1,1-2H3]-4-Benzyloxy-2-butanol")
- InChI
- InChI=1S/C11H16O2/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/i1D3
- InChI Key
- PPVYBGKNKMMISH-FIBGUPNXSA-N
- Formula
- C11H13D3O2
- SMILES
- CC(O)CCOCc1ccccc1
- Molecular Weight1
- 183.26
- 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° | -90.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.06 | kJ/mol | Joback Calculated Property |
| log10WS | -2.49 | Crippen Calculated Property | |
| logPoct/wat | 1.974 | Crippen Calculated Property | |
| McVol | 153.830 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [1466.00; 1466.00] |
|
|
| Inp | 1466.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Tboil | 591.92 | K | Joback Calculated Property |
| Tc | 784.25 | K | Joback Calculated Property |
| Tfus | 308.20 | K | Joback Calculated Property |
| Vc | 0.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.96; 453.58] | J/mol×K | [591.92; 784.25] |
|
| Cp,gas | 383.96 | J/mol×K | 591.92 | Joback Calculated Property |
| Cp,gas | 397.25 | J/mol×K | 623.98 | Joback Calculated Property |
| Cp,gas | 409.84 | J/mol×K | 656.03 | Joback Calculated Property |
| Cp,gas | 421.75 | J/mol×K | 688.09 | Joback Calculated Property |
| Cp,gas | 433.00 | J/mol×K | 720.14 | Joback Calculated Property |
| Cp,gas | 443.60 | J/mol×K | 752.20 | Joback Calculated Property |
| Cp,gas | 453.58 | J/mol×K | 784.25 | Joback Calculated Property |
| η | [0.0000630; 0.0100219] | Pa×s | [308.20; 591.92] |
|
| η | 0.0100219 | Pa×s | 308.20 | Joback Calculated Property |
| η | 0.0024550 | Pa×s | 355.49 | Joback Calculated Property |
| η | 0.0008368 | Pa×s | 402.77 | Joback Calculated Property |
| η | 0.0003576 | Pa×s | 450.06 | Joback Calculated Property |
| η | 0.0001796 | Pa×s | 497.35 | Joback Calculated Property |
| η | 0.0001017 | Pa×s | 544.63 | Joback Calculated Property |
| η | 0.0000630 | Pa×s | 591.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to [1,1,1-2H3]-4-Benzyloxy-2-butanol.
Sources
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