- InChI
- InChI=1S/C17H25NO4/c1-13(2)7-6-10-22-16(19)12-18(3)17(20)14-8-5-9-15(11-14)21-4/h5,8-9,11,13H,6-7,10,12H2,1-4H3
- InChI Key
- GBOHEWWOMAATRW-UHFFFAOYSA-N
- Formula
- C17H25NO4
- SMILES
-
COc1cccc(C(=O)N(C)CC(=O)OCCCC(
C)C)c1 - Molecular Weight1
- 307.38
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -164.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.29 | Crippen Calculated Property | |
| logPoct/wat | 2.747 | Crippen Calculated Property | |
| McVol | 251.490 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Joback Calculated Property |
| Inp | [2381.00; 2381.00] |
|
|
| Inp | 2381.00 | NIST | |
| Inp | 2381.00 | NIST | |
| Tboil | 784.60 | K | Joback Calculated Property |
| Tc | 986.38 | K | Joback Calculated Property |
| Tfus | 482.08 | K | Joback Calculated Property |
| Vc | 0.940 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.04; 824.42] | J/mol×K | [784.60; 986.38] |
|
| Cp,gas | 746.04 | J/mol×K | 784.60 | Joback Calculated Property |
| Cp,gas | 761.71 | J/mol×K | 818.23 | Joback Calculated Property |
| Cp,gas | 776.30 | J/mol×K | 851.86 | Joback Calculated Property |
| Cp,gas | 789.85 | J/mol×K | 885.49 | Joback Calculated Property |
| Cp,gas | 802.37 | J/mol×K | 919.12 | Joback Calculated Property |
| Cp,gas | 813.88 | J/mol×K | 952.75 | Joback Calculated Property |
| Cp,gas | 824.42 | J/mol×K | 986.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-methoxybenzoyl)-, isohexyl ester.
Sources
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