- InChI
- InChI=1S/C9H19NO2/c1-5-10(6-2)9(11)12-7-8(3)4/h8H,5-7H2,1-4H3
- InChI Key
- IRUZTBVDTVEQPU-UHFFFAOYSA-N
- Formula
- C9H19NO2
- SMILES
- CCN(CC)C(=O)OCC(C)C
- Molecular Weight1
- 173.25
- 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 | 0.5634 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.121 | Crippen Calculated Property | |
| McVol | 155.090 | ml/mol | McGowan Calculated Property |
| Pc | 2426.65 | kPa | Joback Calculated Property |
| Inp | 1162.00 | NIST | |
| Tboil | 490.24 | K | Relay (1.0) Calculated Property |
| Tc | 646.62 | K | Relay (1.0) Calculated Property |
| Tfus | 216.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.586 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.39; 434.06] | J/mol×K | [493.61; 669.14] | 
|
| Cp,gas | 356.39 | J/mol×K | 493.61 | Joback Calculated Property |
| Cp,gas | 370.77 | J/mol×K | 522.87 | Joback Calculated Property |
| Cp,gas | 384.56 | J/mol×K | 552.12 | Joback Calculated Property |
| Cp,gas | 397.78 | J/mol×K | 581.38 | Joback Calculated Property |
| Cp,gas | 410.42 | J/mol×K | 610.63 | Joback Calculated Property |
| Cp,gas | 422.51 | J/mol×K | 639.89 | Joback Calculated Property |
| Cp,gas | 434.06 | J/mol×K | 669.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutylcarbamate, N,N-diethyl.
Sources
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