- InChI
- InChI=1S/C12H21NO3/c1-2-3-4-12(15)16-11-6-8-5-9(14)7-10(11)13-8/h8-11,13-14H,2-7H2,1H3/t8-,9?,10+,11?/m0/s1
- InChI Key
- VFRBSLVVGKTPQL-QPBDYMMBSA-N
- Formula
- C12H21NO3
- SMILES
- CCCCC(=O)OC1CC2CC(O)CC1N2
- Molecular Weight1
- 227.30
- 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 | 0.7085 | Relay (1.0) Calculated Property | |
| ΔfG° | -150.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -680.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.974 | Crippen Calculated Property | |
| McVol | 181.510 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Inp | 1719.00 | NIST | |
| Tboil | 585.02 | K | Relay (1.0) Calculated Property |
| Tc | 811.65 | K | Relay (1.0) Calculated Property |
| Tfus | 407.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.682 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.70; 642.19] | J/mol×K | [703.66; 901.75] | 
|
| Cp,gas | 559.70 | J/mol×K | 703.66 | Joback Calculated Property |
| Cp,gas | 575.67 | J/mol×K | 736.68 | Joback Calculated Property |
| Cp,gas | 590.72 | J/mol×K | 769.69 | Joback Calculated Property |
| Cp,gas | 604.86 | J/mol×K | 802.71 | Joback Calculated Property |
| Cp,gas | 618.14 | J/mol×K | 835.72 | Joback Calculated Property |
| Cp,gas | 630.57 | J/mol×K | 868.74 | Joback Calculated Property |
| Cp,gas | 642.19 | J/mol×K | 901.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Pentanoyloxynortropan-6-ol.
Sources
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