- InChI
- InChI=1S/C7H13NO/c1-9-7-5-3-2-4-6-8-7/h2-6H2,1H3
- InChI Key
- DNXIQMQGKSQHPC-UHFFFAOYSA-N
- Formula
- C7H13NO
- SMILES
- COC1=NCCCCC1
- Molecular Weight1
- 127.18
- CAS
- 2525-16-8
- Other Names
-
- 7-Methoxy-3,4,5,6-tetrahydro-2H-azepine
- 1-Aza-2-methoxy-1-cycloheptane
- O-Methylcaprolactim
- Caprolactim methyl ether
- Caprolactim-O-methyl ether
- O-Methyl-«epsilon»-caprolactim
- O-Methylhexanolactim
- 2-Methoxy-1-azacycloheptene
- 3,4,5,6-Tetrahydro-7-methoxy-2H-azepine
- «epsilon»-Caprolactim methyl ether
- 2-Methoxy-4,5,6,7-tetrahydro-3H-azepine
- NSC 31263
- NSC 523095
- methyl 3,4,5,6-tetrahydro-7H-azepin-2-yl ether
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 60.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -134.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.66 | kJ/mol | Joback Calculated Property |
| log10WS | -1.39 | Crippen Calculated Property | |
| logPoct/wat | 1.605 | Crippen Calculated Property | |
| McVol | 110.180 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Tboil | 468.31 | K | Joback Calculated Property |
| Tc | 695.53 | K | Joback Calculated Property |
| Tfus | 283.80 | K | Joback Calculated Property |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.16; 328.65] | J/mol×K | [468.31; 695.53] | 
|
| Cp,gas | 239.16 | J/mol×K | 468.31 | Joback Calculated Property |
| Cp,gas | 256.05 | J/mol×K | 506.18 | Joback Calculated Property |
| Cp,gas | 272.17 | J/mol×K | 544.05 | Joback Calculated Property |
| Cp,gas | 287.51 | J/mol×K | 581.92 | Joback Calculated Property |
| Cp,gas | 302.05 | J/mol×K | 619.79 | Joback Calculated Property |
| Cp,gas | 315.77 | J/mol×K | 657.66 | Joback Calculated Property |
| Cp,gas | 328.65 | J/mol×K | 695.53 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 325.70 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-.
Sources
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