- InChI
- InChI=1S/C11H19NO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h8-10H,1,4-6H2,2-3H3,(H2,12,13)/t8-,9+,10-/m0/s1
- InChI Key
- RZCGKLXPOLDEBS-AEJSXWLSSA-N
- Formula
- C11H19NO2
- SMILES
- C=C(C)C1CCC(C)CC1OC(N)=O
- Molecular Weight1
- 197.27
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -37.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.10 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.463 | Crippen Calculated Property | |
| McVol | 168.110 | ml/mol | McGowan Calculated Property |
| Pc | 2537.93 | kPa | Joback Calculated Property |
| Inp | 1456.00 | NIST | |
| Tboil | 606.67 | K | Joback Calculated Property |
| Tc | 825.13 | K | Joback Calculated Property |
| Tfus | 352.33 | K | Joback Calculated Property |
| Vc | 0.618 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.82; 550.25] | J/mol×K | [606.67; 825.13] | 
|
| Cp,gas | 454.82 | J/mol×K | 606.67 | Joback Calculated Property |
| Cp,gas | 473.39 | J/mol×K | 643.08 | Joback Calculated Property |
| Cp,gas | 490.88 | J/mol×K | 679.49 | Joback Calculated Property |
| Cp,gas | 507.30 | J/mol×K | 715.90 | Joback Calculated Property |
| Cp,gas | 522.66 | J/mol×K | 752.31 | Joback Calculated Property |
| Cp,gas | 536.97 | J/mol×K | 788.72 | Joback Calculated Property |
| Cp,gas | 550.25 | J/mol×K | 825.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopulegol, carbamate.
Sources
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