- InChI
- InChI=1S/C14H19NO2/c1-14(9-5-2-6-10-14)17-13(16)11-7-3-4-8-12(11)15/h3-4,7-8H,2,5-6,9-10,15H2,1H3
- InChI Key
- CLNJDWUPBRXNKC-UHFFFAOYSA-N
- Formula
- C14H19NO2
- SMILES
- CC1(OC(=O)c2ccccc2N)CCCCC1
- Molecular Weight1
- 233.31
- ω : Acentric Factor.
- 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).
- 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.
- 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 | 0.6455 | Relay (1.0) Calculated Property | |
| ΔfG° | 21.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.148 | Crippen Calculated Property | |
| McVol | 190.920 | ml/mol | McGowan Calculated Property |
| Pc | 2790.61 | kPa | Joback Calculated Property |
| Inp | [1922.70; 1922.70] |
|
|
| Inp | 1922.70 | NIST | |
| Inp | 1922.70 | NIST | |
| Tboil | 614.90 | K | Relay (1.0) Calculated Property |
| Tc | 847.21 | K | Relay (1.0) Calculated Property |
| Tfus | 311.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.677 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.06; 645.47] | J/mol×K | [719.99; 970.47] |
|
| Cp,gas | 548.06 | J/mol×K | 719.99 | Joback Calculated Property |
| Cp,gas | 566.23 | J/mol×K | 761.74 | Joback Calculated Property |
| Cp,gas | 583.39 | J/mol×K | 803.48 | Joback Calculated Property |
| Cp,gas | 599.71 | J/mol×K | 845.23 | Joback Calculated Property |
| Cp,gas | 615.38 | J/mol×K | 886.98 | Joback Calculated Property |
| Cp,gas | 630.57 | J/mol×K | 928.73 | Joback Calculated Property |
| Cp,gas | 645.47 | J/mol×K | 970.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methylcyclohexanyl anthranilate.
Sources
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