- InChI
- InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-11-8(9)10/h2-7H2,1H3,(H2,9,10)
- InChI Key
- AXMPFOXRWZXZFA-UHFFFAOYSA-N
- Formula
- C8H17NO2
- SMILES
- CCCCCCCOC(N)=O
- Molecular Weight1
- 159.23
- Other Names
-
- n-heptyl 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 | 0.7215 | Relay (1.0) Calculated Property | |
| ΔfG° | -150.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.62 | Aq. Solubility Prediction | |
| logPoct/wat | 2.052 | Crippen Calculated Property | |
| McVol | 141.000 | ml/mol | McGowan Calculated Property |
| Pc | 2820.33 | kPa | Joback Calculated Property |
| Inp | 1267.00 | NIST | |
| Tboil | 494.20 | K | Relay (1.0) Calculated Property |
| Tc | 679.43 | K | Relay (1.0) Calculated Property |
| Tfus | 249.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.545 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.10; 406.05] | J/mol×K | [531.26; 717.25] | 
|
| Cp,gas | 338.10 | J/mol×K | 531.26 | Joback Calculated Property |
| Cp,gas | 350.72 | J/mol×K | 562.26 | Joback Calculated Property |
| Cp,gas | 362.81 | J/mol×K | 593.26 | Joback Calculated Property |
| Cp,gas | 374.39 | J/mol×K | 624.26 | Joback Calculated Property |
| Cp,gas | 385.45 | J/mol×K | 655.26 | Joback Calculated Property |
| Cp,gas | 396.00 | J/mol×K | 686.26 | Joback Calculated Property |
| Cp,gas | 406.05 | J/mol×K | 717.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptanol, carbamate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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