- InChI
- InChI=1S/C16H29NO2/c1-3-5-7-8-9-10-11-12-13-14-17-16(18)19-15-6-4-2/h2H,3,5-15H2,1H3,(H,17,18)
- InChI Key
- ZHRDNAAQVZEPNF-UHFFFAOYSA-N
- Formula
- C16H29NO2
- SMILES
- C#CCCOC(=O)NCCCCCCCCCCC
- Molecular Weight1
- 267.41
- 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 | 0.8141 | Relay (1.0) Calculated Property | |
| ΔfG° | 162.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.267 | Crippen Calculated Property | |
| McVol | 245.120 | ml/mol | McGowan Calculated Property |
| Pc | 1541.49 | kPa | Joback Calculated Property |
| Inp | [2339.00; 2339.00] |
|
|
| Inp | 2339.00 | NIST | |
| Inp | 2339.00 | NIST | |
| Tboil | 601.20 | K | Relay (1.0) Calculated Property |
| Tc | 786.84 | K | Relay (1.0) Calculated Property |
| Tfus | 308.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.898 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.38; 779.00] | J/mol×K | [682.06; 859.54] |
|
| Cp,gas | 690.38 | J/mol×K | 682.06 | Joback Calculated Property |
| Cp,gas | 707.06 | J/mol×K | 711.64 | Joback Calculated Property |
| Cp,gas | 722.95 | J/mol×K | 741.22 | Joback Calculated Property |
| Cp,gas | 738.06 | J/mol×K | 770.80 | Joback Calculated Property |
| Cp,gas | 752.43 | J/mol×K | 800.38 | Joback Calculated Property |
| Cp,gas | 766.07 | J/mol×K | 829.96 | Joback Calculated Property |
| Cp,gas | 779.00 | J/mol×K | 859.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, monoamide, N-undecyl-, but-3-yn-1-yl ester.
Sources
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