- InChI
- InChI=1S/C11H21NO2/c1-9(2)5-4-6-10(3)7-8-14-11(12)13/h5,10H,4,6-8H2,1-3H3,(H2,12,13)/t10-/m0/s1
- InChI Key
- PIYCXVKTSFJWDD-JTQLQIEISA-N
- Formula
- C11H21NO2
- SMILES
- CC(C)=CCCC(C)CCOC(N)=O
- Molecular Weight1
- 199.29
- 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 | 0.6903 | Relay (1.0) Calculated Property | |
| ΔfG° | -56.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.854 | Crippen Calculated Property | |
| McVol | 178.970 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Inp | [1518.00; 1518.00] |
|
|
| Inp | 1518.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Tboil | 530.39 | K | Relay (1.0) Calculated Property |
| Tc | 712.25 | K | Relay (1.0) Calculated Property |
| Tfus | 237.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.631 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.59; 541.51] | J/mol×K | [603.50; 797.20] |
|
| Cp,gas | 462.59 | J/mol×K | 603.50 | Joback Calculated Property |
| Cp,gas | 477.53 | J/mol×K | 635.78 | Joback Calculated Property |
| Cp,gas | 491.72 | J/mol×K | 668.07 | Joback Calculated Property |
| Cp,gas | 505.19 | J/mol×K | 700.35 | Joback Calculated Property |
| Cp,gas | 517.96 | J/mol×K | 732.63 | Joback Calculated Property |
| Cp,gas | 530.06 | J/mol×K | 764.92 | Joback Calculated Property |
| Cp,gas | 541.51 | J/mol×K | 797.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citronellol, carbamate.
Sources
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