- InChI
- InChI=1S/C18H35NO3/c1-4-5-6-7-8-9-10-11-12-15-22-17(20)13-14-19-18(21)16(2)3/h16H,4-15H2,1-3H3,(H,19,21)
- InChI Key
- QODWLHVQSNRPTM-UHFFFAOYSA-N
- Formula
- C18H35NO3
- SMILES
- CCCCCCCCCCCOC(=O)CCNC(=O)C(C)C
- Molecular Weight1
- 313.48
- 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 | 0.9488 | Relay (1.0) Calculated Property | |
| ΔfG° | -175.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.223 | Crippen Calculated Property | |
| McVol | 283.470 | ml/mol | McGowan Calculated Property |
| Pc | 1261.06 | kPa | Joback Calculated Property |
| Inp | [2310.00; 2310.00] |
|
|
| Inp | 2310.00 | NIST | |
| Inp | 2310.00 | NIST | |
| Tboil | 595.30 | K | Relay (1.0) Calculated Property |
| Tc | 795.96 | K | Relay (1.0) Calculated Property |
| Tfus | 310.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.078 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [882.26; 972.26] | J/mol×K | [791.13; 975.23] |
|
| Cp,gas | 882.26 | J/mol×K | 791.13 | Joback Calculated Property |
| Cp,gas | 899.59 | J/mol×K | 821.81 | Joback Calculated Property |
| Cp,gas | 915.96 | J/mol×K | 852.50 | Joback Calculated Property |
| Cp,gas | 931.39 | J/mol×K | 883.18 | Joback Calculated Property |
| Cp,gas | 945.90 | J/mol×K | 913.86 | Joback Calculated Property |
| Cp,gas | 959.51 | J/mol×K | 944.54 | Joback Calculated Property |
| Cp,gas | 972.26 | J/mol×K | 975.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-isobutyryl-, undecyl ester.
Sources
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