- InChI
- InChI=1S/C19H30ClNO/c1-3-5-7-9-14-21(15-10-8-6-4-2)19(22)17-12-11-13-18(20)16-17/h11-13,16H,3-10,14-15H2,1-2H3
- InChI Key
- BCRUNUYUUYNQKX-UHFFFAOYSA-N
- Formula
- C19H30ClNO
- SMILES
-
CCCCCCN(CCCCCC)C(=O)c1cccc(Cl)
c1 - Molecular Weight1
- 323.90
- 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 | 0.8615 | Relay (1.0) Calculated Property | |
| ΔfG° | 181.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.943 | Crippen Calculated Property | |
| McVol | 278.600 | ml/mol | McGowan Calculated Property |
| Pc | 1369.71 | kPa | Joback Calculated Property |
| Inp | [2355.00; 2355.00] |
|
|
| Inp | 2355.00 | NIST | |
| Inp | 2355.00 | NIST | |
| Tboil | 636.98 | K | Relay (1.0) Calculated Property |
| Tc | 845.38 | K | Relay (1.0) Calculated Property |
| Tfus | 289.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.026 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [810.83; 900.37] | J/mol×K | [769.52; 964.77] |
|
| Cp,gas | 810.83 | J/mol×K | 769.52 | Joback Calculated Property |
| Cp,gas | 828.12 | J/mol×K | 802.06 | Joback Calculated Property |
| Cp,gas | 844.40 | J/mol×K | 834.60 | Joback Calculated Property |
| Cp,gas | 859.71 | J/mol×K | 867.14 | Joback Calculated Property |
| Cp,gas | 874.10 | J/mol×K | 899.68 | Joback Calculated Property |
| Cp,gas | 887.64 | J/mol×K | 932.22 | Joback Calculated Property |
| Cp,gas | 900.37 | J/mol×K | 964.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoic acid, N,N-dihexyl-.
Sources
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