- InChI
- InChI=1S/C11H12O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h2,4-8H,1,3,9H2
- InChI Key
- HCAQKYMCZZDLGU-UHFFFAOYSA-N
- Formula
- C11H12O2
- SMILES
- C=CCCOC(=O)c1ccccc1
- Molecular Weight1
- 176.21
- Other Names
-
- 3-Buten-1-ol, benzoate
- 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° | 8.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -153.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.84 | kJ/mol | Joback Calculated Property |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 2.420 | Crippen Calculated Property | |
| McVol | 145.230 | ml/mol | McGowan Calculated Property |
| Pc | 2906.11 | kPa | Joback Calculated Property |
| Inp | [1334.00; 1348.00] |
|
|
| Inp | 1337.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1348.00 | NIST | |
| I | 1912.00 | NIST | |
| Tboil | 550.73 | K | Joback Calculated Property |
| Tc | 764.42 | K | Joback Calculated Property |
| Tfus | 310.55 | K | Joback Calculated Property |
| Vc | 0.548 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.91; 397.79] | J/mol×K | [550.73; 764.42] |
|
| Cp,gas | 326.91 | J/mol×K | 550.73 | Joback Calculated Property |
| Cp,gas | 340.70 | J/mol×K | 586.34 | Joback Calculated Property |
| Cp,gas | 353.66 | J/mol×K | 621.96 | Joback Calculated Property |
| Cp,gas | 365.82 | J/mol×K | 657.57 | Joback Calculated Property |
| Cp,gas | 377.21 | J/mol×K | 693.19 | Joback Calculated Property |
| Cp,gas | 387.86 | J/mol×K | 728.80 | Joback Calculated Property |
| Cp,gas | 397.79 | J/mol×K | 764.42 | Joback Calculated Property |
| η | [0.0002060; 0.0021881] | Pa×s | [310.55; 550.73] |
|
| η | 0.0021881 | Pa×s | 310.55 | Joback Calculated Property |
| η | 0.0011786 | Pa×s | 350.58 | Joback Calculated Property |
| η | 0.0007207 | Pa×s | 390.61 | Joback Calculated Property |
| η | 0.0004829 | Pa×s | 430.64 | Joback Calculated Property |
| η | 0.0003463 | Pa×s | 470.67 | Joback Calculated Property |
| η | 0.0002617 | Pa×s | 510.70 | Joback Calculated Property |
| η | 0.0002060 | Pa×s | 550.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Butenyl benzoate.
Sources
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