- InChI
- InChI=1S/C11H14O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
- InChI Key
- LSLWNAOQPPLHSW-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCC(C)OC(=O)c1ccccc1
- Molecular Weight1
- 178.23
- Other Names
-
- 1-Methylpropyl benzoate
- Sec-butyl benzoate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5206 | Relay (1.0) Calculated Property | |
| ΔfG° | -82.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.642 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2802.44 | kPa | Joback Calculated Property |
| Inp | [1276.00; 1307.00] |
|
|
| Inp | 1307.00 | NIST | |
| Inp | 1276.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1291.00 | NIST | |
| Inp | 1280.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Inp | 1285.00 | NIST | |
| I | [1741.00; 1792.00] |
|
|
| I | 1741.00 | NIST | |
| I | 1771.00 | NIST | |
| I | 1766.00 | NIST | |
| I | 1774.00 | NIST | |
| I | 1792.00 | NIST | |
| I | 1741.00 | NIST | |
| I | 1780.00 | NIST | |
| I | 1749.00 | NIST | |
| I | 1762.00 | NIST | |
| I | 1752.00 | NIST | |
| Tboil | 505.53 | K | Relay (1.0) Calculated Property |
| Tc | 700.31 | K | Relay (1.0) Calculated Property |
| Tfus | 239.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.548 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.73; 423.32] | J/mol×K | [553.61; 767.42] |
|
| Cp,gas | 346.73 | J/mol×K | 553.61 | Joback Calculated Property |
| Cp,gas | 361.56 | J/mol×K | 589.25 | Joback Calculated Property |
| Cp,gas | 375.53 | J/mol×K | 624.88 | Joback Calculated Property |
| Cp,gas | 388.67 | J/mol×K | 660.52 | Joback Calculated Property |
| Cp,gas | 401.00 | J/mol×K | 696.15 | Joback Calculated Property |
| Cp,gas | 412.55 | J/mol×K | 731.79 | Joback Calculated Property |
| Cp,gas | 423.32 | J/mol×K | 767.42 | Joback Calculated Property |
| η | [0.0001883; 0.0030377] | Pa×s | [297.31; 553.61] |
|
| η | 0.0030377 | Pa×s | 297.31 | Joback Calculated Property |
| η | 0.0014284 | Pa×s | 340.03 | Joback Calculated Property |
| η | 0.0007949 | Pa×s | 382.74 | Joback Calculated Property |
| η | 0.0004976 | Pa×s | 425.46 | Joback Calculated Property |
| η | 0.0003393 | Pa×s | 468.18 | Joback Calculated Property |
| η | 0.0002466 | Pa×s | 510.89 | Joback Calculated Property |
| η | 0.0001883 | Pa×s | 553.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to SEC-BUTYL BENZOATE.
Sources
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