- InChI
- InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-
- InChI Key
- FJKFIIYSBXHBCT-ARJAWSKDSA-N
- Formula
- C14H18O2
- SMILES
- CCC=CCCOC(=O)Cc1ccccc1
- Molecular Weight1
- 218.29
- CAS
- 42436-07-7
- Other Names
-
- Benzeneacetic acid, 3-hexenyl ester, (Z)-
- (3Z)-3-Hexenyl phenylacetate
- (Z)-3-Hexenyl phenylacetate
- Benzeneacetic acid, (3Z)-3-hexen-1-yl ester
- 3-Hexenyl phenylacetate, cis-
- (Z)-hex-3-enyl phenylacetate
- 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° | 25.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.15 | kJ/mol | Joback Calculated Property |
| log10WS | -3.50 | Crippen Calculated Property | |
| logPoct/wat | 3.129 | Crippen Calculated Property | |
| McVol | 187.500 | ml/mol | McGowan Calculated Property |
| Pc | 2197.95 | kPa | Joback Calculated Property |
| Inp | [1610.00; 1610.00] |
|
|
| Inp | 1610.00 | NIST | |
| Inp | 1610.00 | NIST | |
| I | 2220.00 | NIST | |
| Tboil | 626.85 | K | Joback Calculated Property |
| Tc | 834.90 | K | Joback Calculated Property |
| Tfus | 341.04 | K | Joback Calculated Property |
| Vc | 0.716 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.32; 554.89] | J/mol×K | [626.85; 834.90] |
|
| Cp,gas | 473.32 | J/mol×K | 626.85 | Joback Calculated Property |
| Cp,gas | 489.16 | J/mol×K | 661.52 | Joback Calculated Property |
| Cp,gas | 504.05 | J/mol×K | 696.20 | Joback Calculated Property |
| Cp,gas | 518.03 | J/mol×K | 730.87 | Joback Calculated Property |
| Cp,gas | 531.13 | J/mol×K | 765.55 | Joback Calculated Property |
| Cp,gas | 543.41 | J/mol×K | 800.22 | Joback Calculated Property |
| Cp,gas | 554.89 | J/mol×K | 834.90 | Joback Calculated Property |
| η | [0.0001300; 0.0019011] | Pa×s | [341.04; 626.85] |
|
| η | 0.0019011 | Pa×s | 341.04 | Joback Calculated Property |
| η | 0.0009243 | Pa×s | 388.68 | Joback Calculated Property |
| η | 0.0005261 | Pa×s | 436.31 | Joback Calculated Property |
| η | 0.0003345 | Pa×s | 483.95 | Joback Calculated Property |
| η | 0.0002307 | Pa×s | 531.58 | Joback Calculated Property |
| η | 0.0001691 | Pa×s | 579.22 | Joback Calculated Property |
| η | 0.0001300 | Pa×s | 626.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-3-Hexenyl phenyl acetate.
Sources
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