![[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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 20.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.974 | Crippen Calculated Property | |
| McVol | 153.830 | ml/mol | McGowan Calculated Property |
| Inp | [1466.00; 1466.00] |
|
|
| Inp | 1466.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Tboil | 534.50 | K | Relay (1.0) Calculated Property |
| Tfus | 287.85 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.04; 453.66] | J/mol×K | [592.12; 784.52] |
|
| Cp,gas | 384.04 | J/mol×K | 592.12 | Joback Calculated Property |
| Cp,gas | 397.34 | J/mol×K | 624.19 | Joback Calculated Property |
| Cp,gas | 409.93 | J/mol×K | 656.25 | Joback Calculated Property |
| Cp,gas | 421.84 | J/mol×K | 688.32 | Joback Calculated Property |
| Cp,gas | 433.08 | J/mol×K | 720.39 | Joback Calculated Property |
| Cp,gas | 443.68 | J/mol×K | 752.45 | Joback Calculated Property |
| Cp,gas | 453.66 | J/mol×K | 784.52 | Joback Calculated Property |
| η | [0.0000629; 0.0100219] | Pa×s | [308.20; 592.12] |
|
| η | 0.0100219 | Pa×s | 308.20 | Joback Calculated Property |
| η | 0.0024529 | Pa×s | 355.52 | Joback Calculated Property |
| η | 0.0008356 | Pa×s | 402.84 | Joback Calculated Property |
| η | 0.0003570 | Pa×s | 450.16 | Joback Calculated Property |
| η | 0.0001793 | Pa×s | 497.48 | Joback Calculated Property |
| η | 0.0001015 | Pa×s | 544.80 | Joback Calculated Property |
| η | 0.0000629 | Pa×s | 592.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to [1,1,1-2H3]-4-Benzyloxy-2-butanol.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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