- InChI
- InChI=1S/C14H21NO2/c1-2-3-4-5-9-12-17-14(16)15-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,15,16)
- InChI Key
- OJXUXLGVKNOXFM-UHFFFAOYSA-N
- Formula
- C14H21NO2
- SMILES
- CCCCCCCOC(=O)Nc1ccccc1
- Molecular Weight1
- 235.32
- CAS
- 109562-39-2
- Other Names
-
- Carbamic acid, N-phenyl-, heptyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | 34.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 4.205 | Crippen Calculated Property | |
| McVol | 201.780 | ml/mol | McGowan Calculated Property |
| Pc | 2119.73 | kPa | Joback Calculated Property |
| Tboil | 672.86 | K | Joback Calculated Property |
| Tc | 873.38 | K | Joback Calculated Property |
| Tfus | 398.78 | K | Joback Calculated Property |
| Vc | 0.770 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.62; 631.08] | J/mol×K | [672.86; 873.38] | 
|
| Cp,gas | 549.62 | J/mol×K | 672.86 | Joback Calculated Property |
| Cp,gas | 565.43 | J/mol×K | 706.28 | Joback Calculated Property |
| Cp,gas | 580.31 | J/mol×K | 739.70 | Joback Calculated Property |
| Cp,gas | 594.29 | J/mol×K | 773.12 | Joback Calculated Property |
| Cp,gas | 607.39 | J/mol×K | 806.54 | Joback Calculated Property |
| Cp,gas | 619.65 | J/mol×K | 839.96 | Joback Calculated Property |
| Cp,gas | 631.08 | J/mol×K | 873.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbanilic acid, n-heptyl ester.
Sources
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