- InChI
- InChI=1S/C9H19NO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3,(H2,10,11)
- InChI Key
- YPNZTHVEMNUDND-UHFFFAOYSA-N
- Formula
- C9H19NO2
- SMILES
- CCCCCCCCOC(N)=O
- Molecular Weight1
- 173.26
- 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 | 0.7570 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -602.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Aq. Solubility Prediction | |
| logPoct/wat | 2.442 | Crippen Calculated Property | |
| McVol | 155.090 | ml/mol | McGowan Calculated Property |
| Pc | 2553.34 | kPa | Joback Calculated Property |
| Tboil | 509.96 | K | Relay (1.0) Calculated Property |
| Tc | 695.32 | K | Relay (1.0) Calculated Property |
| Tfus | 258.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.602 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.52; 456.89] | J/mol×K | [554.14; 738.11] | 
|
| Cp,gas | 384.52 | J/mol×K | 554.14 | Joback Calculated Property |
| Cp,gas | 397.99 | J/mol×K | 584.80 | Joback Calculated Property |
| Cp,gas | 410.88 | J/mol×K | 615.46 | Joback Calculated Property |
| Cp,gas | 423.21 | J/mol×K | 646.12 | Joback Calculated Property |
| Cp,gas | 434.99 | J/mol×K | 676.79 | Joback Calculated Property |
| Cp,gas | 446.21 | J/mol×K | 707.45 | Joback Calculated Property |
| Cp,gas | 456.89 | J/mol×K | 738.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-octyl carbamate.
Sources
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