- InChI
- InChI=1S/C14H21NO3/c1-4-5-6-9-15-14(16)11-7-8-12(17-2)13(10-11)18-3/h7-8,10H,4-6,9H2,1-3H3,(H,15,16)
- InChI Key
- BHFYVOLTMPOZLL-UHFFFAOYSA-N
- Formula
- C14H21NO3
- SMILES
- CCCCCNC(=O)c1ccc(OC)c(OC)c1
- Molecular Weight1
- 251.32
- 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 | 0.8041 | Relay (1.0) Calculated Property | |
| ΔfG° | -89.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -480.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.624 | Crippen Calculated Property | |
| McVol | 207.650 | ml/mol | McGowan Calculated Property |
| Pc | 2030.89 | kPa | Joback Calculated Property |
| Inp | [2253.00; 2253.00] |
|
|
| Inp | 2253.00 | NIST | |
| Inp | 2253.00 | NIST | |
| Tboil | 610.83 | K | Relay (1.0) Calculated Property |
| Tc | 828.59 | K | Relay (1.0) Calculated Property |
| Tfus | 360.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.763 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.79; 653.93] | J/mol×K | [705.24; 906.02] |
|
| Cp,gas | 575.79 | J/mol×K | 705.24 | Joback Calculated Property |
| Cp,gas | 590.99 | J/mol×K | 738.70 | Joback Calculated Property |
| Cp,gas | 605.31 | J/mol×K | 772.17 | Joback Calculated Property |
| Cp,gas | 618.77 | J/mol×K | 805.63 | Joback Calculated Property |
| Cp,gas | 631.35 | J/mol×K | 839.10 | Joback Calculated Property |
| Cp,gas | 643.07 | J/mol×K | 872.56 | Joback Calculated Property |
| Cp,gas | 653.93 | J/mol×K | 906.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-dimethoxy-N-pentyl-.
Sources
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