- InChI
- InChI=1S/C19H29NO3/c1-3-4-5-6-7-8-14-23-18(21)12-13-20-19(22)17-11-9-10-16(2)15-17/h9-11,15H,3-8,12-14H2,1-2H3,(H,20,22)
- InChI Key
- RTAIPWWRNAOHPL-UHFFFAOYSA-N
- Formula
- C19H29NO3
- SMILES
-
CCCCCCCCOC(=O)CCNC(=O)c1cccc(C
)c1 - Molecular Weight1
- 319.44
- 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 | 0.9507 | Relay (1.0) Calculated Property | |
| ΔfG° | -61.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.019 | Crippen Calculated Property | |
| McVol | 273.800 | ml/mol | McGowan Calculated Property |
| Pc | 1474.75 | kPa | Joback Calculated Property |
| Inp | 2612.00 | NIST | |
| Tboil | 650.17 | K | Relay (1.0) Calculated Property |
| Tc | 870.44 | K | Relay (1.0) Calculated Property |
| Tfus | 313.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.010 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [848.95; 926.98] | J/mol×K | [846.11; 1048.85] | 
|
| Cp,gas | 848.95 | J/mol×K | 846.11 | Joback Calculated Property |
| Cp,gas | 864.52 | J/mol×K | 879.90 | Joback Calculated Property |
| Cp,gas | 879.02 | J/mol×K | 913.69 | Joback Calculated Property |
| Cp,gas | 892.47 | J/mol×K | 947.48 | Joback Calculated Property |
| Cp,gas | 904.93 | J/mol×K | 981.27 | Joback Calculated Property |
| Cp,gas | 916.42 | J/mol×K | 1015.06 | Joback Calculated Property |
| Cp,gas | 926.98 | J/mol×K | 1048.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-methylbenzoyl)-, octyl ester.
Sources
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