- InChI
- InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2-
- InChI Key
- NVIPUOMWGQAOIT-RQOWECAXSA-N
- Formula
- C16H28O2
- SMILES
- O=C1CCCCCC=CCCCCCCCCO1
- Molecular Weight1
- 252.39
- CAS
- 123-69-3
- Other Names
-
- Musk ambrette
- Ambrettolid
- Ambrettolide
- Musk ambrette, natural
- Musk natural
- Oxacycloheptadec-8-en-2-one, (Z)-
- Natural musk ambrette
- (Z)-7-Hexadecen-16-olide
- 16-Hydroxy-7-hexadecenoic acid lactone, cis-
- hexadec-7-en-16-olide
- 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.
- I : 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 | 0.3319 | Relay (1.0) Calculated Property | |
| ΔfG° | -195.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.781 | Crippen Calculated Property | |
| McVol | 228.580 | ml/mol | McGowan Calculated Property |
| Pc | 2106.13 | kPa | Joback Calculated Property |
| Inp | [1925.00; 1936.00] |
|
|
| Inp | 1927.50 | NIST | |
| Inp | 1936.00 | NIST | |
| Inp | 1925.00 | NIST | |
| Inp | 1925.00 | NIST | |
| Inp | 1927.50 | NIST | |
| I | [2475.00; 2475.00] |
|
|
| I | 2475.00 | NIST | |
| I | 2475.00 | NIST | |
| Tboil | 679.87 | K | Relay (1.0) Calculated Property |
| Tc | 856.66 | K | Relay (1.0) Calculated Property |
| Tfus | 330.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [703.37; 830.97] | J/mol×K | [730.60; 1003.49] |
|
| Cp,gas | 703.37 | J/mol×K | 730.60 | Joback Calculated Property |
| Cp,gas | 732.68 | J/mol×K | 776.08 | Joback Calculated Property |
| Cp,gas | 758.95 | J/mol×K | 821.56 | Joback Calculated Property |
| Cp,gas | 782.04 | J/mol×K | 867.04 | Joback Calculated Property |
| Cp,gas | 801.83 | J/mol×K | 912.52 | Joback Calculated Property |
| Cp,gas | 818.18 | J/mol×K | 958.01 | Joback Calculated Property |
| Cp,gas | 830.97 | J/mol×K | 1003.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxacycloheptadec-8-en-2-one, (8Z)-.
Sources
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