- InChI
- InChI=1S/C15H28O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,14,16H,1,7-8,10-12H2,2-5H3
- InChI Key
- NZWVRMHQZPQHLI-UHFFFAOYSA-N
- Formula
- C15H28O
- SMILES
- C=CC(C)(O)CCCC(C)CCC=C(C)C
- Molecular Weight1
- 224.38
- 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 | 0.7068 | Relay (1.0) Calculated Property | |
| ΔfG° | 98.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.476 | Crippen Calculated Property | |
| McVol | 219.480 | ml/mol | McGowan Calculated Property |
| Pc | 1679.66 | kPa | Joback Calculated Property |
| Inp | 1587.00 | NIST | |
| Tboil | 547.89 | K | Relay (1.0) Calculated Property |
| Tc | 713.62 | K | Relay (1.0) Calculated Property |
| Tfus | 274.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.778 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.68; 683.45] | J/mol×K | [631.83; 807.60] | 
|
| Cp,gas | 596.68 | J/mol×K | 631.83 | Joback Calculated Property |
| Cp,gas | 613.05 | J/mol×K | 661.12 | Joback Calculated Property |
| Cp,gas | 628.59 | J/mol×K | 690.42 | Joback Calculated Property |
| Cp,gas | 643.36 | J/mol×K | 719.71 | Joback Calculated Property |
| Cp,gas | 657.39 | J/mol×K | 749.01 | Joback Calculated Property |
| Cp,gas | 670.74 | J/mol×K | 778.30 | Joback Calculated Property |
| Cp,gas | 683.45 | J/mol×K | 807.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6,7-dihydronerolidol.
Sources
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