- InChI
- InChI=1S/C7H15NO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3,(H2,8,9)
- InChI Key
- ROASJEHPZNKHOF-UHFFFAOYSA-N
- Formula
- C7H15NO2
- SMILES
- CCCCCCOC(N)=O
- Molecular Weight1
- 145.20
- Other Names
-
- n-hexyl carbamate
- 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 | 0.6855 | Relay (1.0) Calculated Property | |
| ΔfG° | -159.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.92 | Aq. Solubility Prediction | |
| logPoct/wat | 1.662 | Crippen Calculated Property | |
| McVol | 126.910 | ml/mol | McGowan Calculated Property |
| Pc | 3131.49 | kPa | Joback Calculated Property |
| Inp | [1165.00; 1165.00] |
|
|
| Inp | 1165.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Tboil | 475.60 | K | Relay (1.0) Calculated Property |
| Tc | 661.99 | K | Relay (1.0) Calculated Property |
| Tfus | 237.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.488 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.56; 356.49] | J/mol×K | [508.38; 696.51] |
|
| Cp,gas | 293.56 | J/mol×K | 508.38 | Joback Calculated Property |
| Cp,gas | 305.22 | J/mol×K | 539.73 | Joback Calculated Property |
| Cp,gas | 316.40 | J/mol×K | 571.09 | Joback Calculated Property |
| Cp,gas | 327.11 | J/mol×K | 602.44 | Joback Calculated Property |
| Cp,gas | 337.36 | J/mol×K | 633.80 | Joback Calculated Property |
| Cp,gas | 347.16 | J/mol×K | 665.15 | Joback Calculated Property |
| Cp,gas | 356.49 | J/mol×K | 696.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexanol, carbamate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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