- InChI
- InChI=1S/C10H13NO/c1-8-5-4-6-9(7-8)10(12)11(2)3/h4-7H,1-3H3
- InChI Key
- SWYVHBPXKKDGLL-UHFFFAOYSA-N
- Formula
- C10H13NO
- SMILES
- Cc1cccc(C(=O)N(C)C)c1
- Molecular Weight1
- 163.22
- CAS
- 6935-65-5
- Other Names
-
- 3-CH3-C6H4CON(CH3)2
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5008 | Relay (1.0) Calculated Property | |
| PAff | 927.00 | kJ/mol | NIST |
| BasG | 896.00 | kJ/mol | NIST |
| ΔfG° | 117.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.697 | Crippen Calculated Property | |
| McVol | 139.550 | ml/mol | McGowan Calculated Property |
| Pc | 3082.99 | kPa | Joback Calculated Property |
| Tboil | 544.85 | K | Relay (1.0) Calculated Property |
| Tc | 742.93 | K | Relay (1.0) Calculated Property |
| Tfus | 291.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 29.90 | kJ/mol | 389.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 421.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.35; 440.72] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.91400e+01 | |||
| Coefficient B | 9.11360e-01 | |||
| Coefficient C | -5.78260e-04 | |||
| Coefficient D | 1.36760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 179.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 226.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 268.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 305.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 337.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 365.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 388.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 409.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 426.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 440.72 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N,3-trimethyl-.
Sources
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