- InChI
- InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
- InChI Key
- RXXCIBALSKQCAE-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- CC(C)CCOCc1ccccc1
- Molecular Weight1
- 178.27
- CAS
- 122-73-6
- Other Names
-
- Benzyl isoamyl ether
- Benzene, [(3-methylbutoxy)methyl]-
- Ether, benzyl isopentyl
- Isoamyl benzyl ether
- NSC 9294
- Isoamylbenzyl ester
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 55.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.29 | Crippen Calculated Property | |
| logPoct/wat | 3.249 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Inp | [1297.00; 1310.00] |
|
|
| Inp | 1310.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Inp | Outlier 1297.00 | NIST | |
| I | 1668.00 | NIST | |
| Tboil | 522.62 | K | Joback Calculated Property |
| Tc | 724.59 | K | Joback Calculated Property |
| Tfus | 258.65 | K | Joback Calculated Property |
| Vc | 0.612 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.16; 460.72] | J/mol×K | [522.62; 724.59] |
|
| Cp,gas | 372.16 | J/mol×K | 522.62 | Joback Calculated Property |
| Cp,gas | 389.01 | J/mol×K | 556.28 | Joback Calculated Property |
| Cp,gas | 404.99 | J/mol×K | 589.94 | Joback Calculated Property |
| Cp,gas | 420.13 | J/mol×K | 623.60 | Joback Calculated Property |
| Cp,gas | 434.45 | J/mol×K | 657.27 | Joback Calculated Property |
| Cp,gas | 447.97 | J/mol×K | 690.93 | Joback Calculated Property |
| Cp,gas | 460.72 | J/mol×K | 724.59 | Joback Calculated Property |
| η | [0.0001625; 0.0039484] | Pa×s | [258.65; 522.62] |
|
| η | 0.0039484 | Pa×s | 258.65 | Joback Calculated Property |
| η | 0.0015764 | Pa×s | 302.64 | Joback Calculated Property |
| η | 0.0007945 | Pa×s | 346.64 | Joback Calculated Property |
| η | 0.0004673 | Pa×s | 390.63 | Joback Calculated Property |
| η | 0.0003060 | Pa×s | 434.63 | Joback Calculated Property |
| η | 0.0002166 | Pa×s | 478.62 | Joback Calculated Property |
| η | 0.0001625 | Pa×s | 522.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzyl isopentyl ether.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.