- InChI
- InChI=1S/C7H15NO2/c1-3-4-5-6-8-7(9)10-2/h3-6H2,1-2H3,(H,8,9)
- InChI Key
- VBJIQWCGMYVMKK-UHFFFAOYSA-N
- Formula
- C7H15NO2
- SMILES
- CCCCCNC(=O)OC
- Molecular Weight1
- 145.20
- CAS
- 2114-20-7
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.5722 | Relay (1.0) Calculated Property | |
| ΔfG° | -136.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.533 | Crippen Calculated Property | |
| McVol | 126.910 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Tboil | 469.77 | K | Relay (1.0) Calculated Property |
| Tc | 657.18 | K | Relay (1.0) Calculated Property |
| Tfus | 257.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.94; 346.69] | J/mol×K | [486.02; 665.66] | 
|
| Cp,gas | 282.94 | J/mol×K | 486.02 | Joback Calculated Property |
| Cp,gas | 294.66 | J/mol×K | 515.96 | Joback Calculated Property |
| Cp,gas | 305.94 | J/mol×K | 545.90 | Joback Calculated Property |
| Cp,gas | 316.78 | J/mol×K | 575.84 | Joback Calculated Property |
| Cp,gas | 327.18 | J/mol×K | 605.78 | Joback Calculated Property |
| Cp,gas | 337.15 | J/mol×K | 635.72 | Joback Calculated Property |
| Cp,gas | 346.69 | J/mol×K | 665.66 | Joback Calculated Property |
| ΔsubH | 96.20 ± 0.80 | kJ/mol | 302.50 | NIST |
Similar Compounds
Find more compounds similar to Hexyl carbamate.
Sources
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