- InChI
- InChI=1S/C8H17NO2/c1-6(2)5-7(9-3)8(10)11-4/h6-7,9H,5H2,1-4H3
- InChI Key
- NYXMJFGTJZTHPT-UHFFFAOYSA-N
- Formula
- C8H17NO2
- SMILES
- CNC(CC(C)C)C(=O)OC
- Molecular Weight1
- 159.23
- 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 | 0.4753 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.793 | Crippen Calculated Property | |
| McVol | 141.000 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Inp | [1014.00; 1014.00] |
|
|
| Inp | 1014.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Tboil | 444.77 | K | Relay (1.0) Calculated Property |
| Tc | 628.70 | K | Relay (1.0) Calculated Property |
| Tfus | 271.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.494 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.33; 399.36] | J/mol×K | [508.02; 693.40] |
|
| Cp,gas | 327.33 | J/mol×K | 508.02 | Joback Calculated Property |
| Cp,gas | 340.70 | J/mol×K | 538.92 | Joback Calculated Property |
| Cp,gas | 353.51 | J/mol×K | 569.81 | Joback Calculated Property |
| Cp,gas | 365.78 | J/mol×K | 600.71 | Joback Calculated Property |
| Cp,gas | 377.51 | J/mol×K | 631.61 | Joback Calculated Property |
| Cp,gas | 388.70 | J/mol×K | 662.51 | Joback Calculated Property |
| Cp,gas | 399.36 | J/mol×K | 693.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 4-methyl-2-methylamino, methyl ester.
Sources
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