- InChI
- InChI=1S/C7H13NO2/c1-3-7(4-9)5-10-6(2)8-7/h9H,3-5H2,1-2H3
- InChI Key
- CYBGFQUZJDXEBD-UHFFFAOYSA-N
- Formula
- C7H13NO2
- SMILES
- CCC1(CO)COC(C)=N1
- Molecular Weight1
- 143.18
- CAS
- 19383-04-1
- Other Names
-
- 4-Ethyl-4-hydroxymethyl-2-methyl-delta
- 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).
- 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 | 0.5685 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.576 | Crippen Calculated Property | |
| McVol | 116.050 | ml/mol | McGowan Calculated Property |
| Pc | 4109.14 | kPa | Joback Calculated Property |
| Tboil | 493.19 | K | Relay (1.0) Calculated Property |
| Tc | 720.41 | K | Relay (1.0) Calculated Property |
| Tfus | 312.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.20; 365.27] | J/mol×K | [552.05; 756.83] | 
|
| Cp,gas | 300.20 | J/mol×K | 552.05 | Joback Calculated Property |
| Cp,gas | 312.53 | J/mol×K | 586.18 | Joback Calculated Property |
| Cp,gas | 324.16 | J/mol×K | 620.31 | Joback Calculated Property |
| Cp,gas | 335.17 | J/mol×K | 654.44 | Joback Calculated Property |
| Cp,gas | 345.64 | J/mol×K | 688.57 | Joback Calculated Property |
| Cp,gas | 355.64 | J/mol×K | 722.70 | Joback Calculated Property |
| Cp,gas | 365.27 | J/mol×K | 756.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethyl-4-hydroxymethyl-2-methyl-delta^2-oxazoline.
Sources
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