- InChI
- InChI=1S/C18H27NO4/c1-4-5-6-7-8-12-23-17(20)14-19(2)18(21)15-10-9-11-16(13-15)22-3/h9-11,13H,4-8,12,14H2,1-3H3
- InChI Key
- NPMNNYYNLWCIEF-UHFFFAOYSA-N
- Formula
- C18H27NO4
- SMILES
-
CCCCCCCOC(=O)CN(C)C(=O)c1cccc(
OC)c1 - Molecular Weight1
- 321.41
- 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 | 0.9293 | Relay (... Calculated Property | |
| ΔfG° | -153.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.76 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.94 | kJ/mol | Relay (... Calculated Property |
| IE | 8.24 | eV | Relay (... Calculated Property |
| log10WS | -4.16 | Relay (... Calculated Property | |
| logPoct/wat | 3.281 | Crippen Calculated Property | |
| McVol | 265.580 | ml/mol | McGowan Calculated Property |
| Pc | 1550.00 | kPa | Joback Calculated Property |
| Inp | 2523.00 | NIST | |
| Tboil | 646.74 | K | Relay (... Calculated Property |
| Tc | 848.20 | K | Relay (... Calculated Property |
| Tfus | 304.62 | K | Relay (... Calculated Property |
| Vc | 0.984 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [802.88; 881.59] | J/mol×K | [807.92; 1006.87] | 
|
| Cp,gas | 802.88 | J/mol×K | 807.92 | Joback Calculated Property |
| Cp,gas | 818.59 | J/mol×K | 841.08 | Joback Calculated Property |
| Cp,gas | 833.23 | J/mol×K | 874.24 | Joback Calculated Property |
| Cp,gas | 846.83 | J/mol×K | 907.40 | Joback Calculated Property |
| Cp,gas | 859.40 | J/mol×K | 940.55 | Joback Calculated Property |
| Cp,gas | 870.98 | J/mol×K | 973.71 | Joback Calculated Property |
| Cp,gas | 881.59 | J/mol×K | 1006.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-methoxybenzoyl)-, heptyl ester.
Sources
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