- InChI
- InChI=1S/C14H20O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
- InChI Key
- UMFTYCUYCNMERS-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CCCCCCCOC(=O)c1ccccc1
- Molecular Weight1
- 220.31
- CAS
- 7155-12-6
- Other Names
-
- n-Heptyl benzoate
- heptyl 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 | 0.7061 | Relay (1.0) Calculated Property | |
| ΔfG° | -54.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.814 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | [1638.00; 1704.00] |
|
|
| Inp | 1663.10 | NIST | |
| Inp | 1682.49 | NIST | |
| Inp | 1665.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Inp | 1654.00 | NIST | |
| Inp | Outlier 1704.00 | NIST | |
| Inp | 1651.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1653.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1663.10 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | Outlier 1704.00 | NIST | |
| Inp | 1683.00 | NIST | |
| I | [2142.00; 2217.00] |
|
|
| I | 2184.00 | NIST | |
| I | 2169.00 | NIST | |
| I | 2198.00 | NIST | |
| I | 2199.00 | NIST | |
| I | 2174.00 | NIST | |
| I | 2184.00 | NIST | |
| I | 2207.00 | NIST | |
| I | 2151.00 | NIST | |
| I | 2176.00 | NIST | |
| I | 2142.00 | NIST | |
| I | 2158.00 | NIST | |
| I | 2217.00 | NIST | |
| I | 2217.00 | NIST | |
| I | 2151.00 | NIST | |
| I | 2184.00 | NIST | |
| Tboil | 565.20 | K | Relay (1.0) Calculated Property |
| Tc | 759.97 | K | Relay (1.0) Calculated Property |
| Tfus | 254.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.13; 579.01] | J/mol×K | [622.69; 822.76] |
|
| Cp,gas | 494.13 | J/mol×K | 622.69 | Joback Calculated Property |
| Cp,gas | 510.47 | J/mol×K | 656.04 | Joback Calculated Property |
| Cp,gas | 525.89 | J/mol×K | 689.38 | Joback Calculated Property |
| Cp,gas | 540.43 | J/mol×K | 722.73 | Joback Calculated Property |
| Cp,gas | 554.11 | J/mol×K | 756.07 | Joback Calculated Property |
| Cp,gas | 566.96 | J/mol×K | 789.42 | Joback Calculated Property |
| Cp,gas | 579.01 | J/mol×K | 822.76 | Joback Calculated Property |
| η | [0.0001517; 0.0020543] | Pa×s | [346.12; 622.69] |
|
| η | 0.0020543 | Pa×s | 346.12 | Joback Calculated Property |
| η | 0.0010310 | Pa×s | 392.21 | Joback Calculated Property |
| η | 0.0005982 | Pa×s | 438.31 | Joback Calculated Property |
| η | 0.0003849 | Pa×s | 484.40 | Joback Calculated Property |
| η | 0.0002674 | Pa×s | 530.50 | Joback Calculated Property |
| η | 0.0001969 | Pa×s | 576.60 | Joback Calculated Property |
| η | 0.0001517 | Pa×s | 622.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, heptyl ester.
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