- InChI
- InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1-
- InChI Key
- ZKVZSBSZTMPBQR-UPHRSURJSA-N
- Formula
- C17H30O
- SMILES
- O=C1CCCCCCCC=CCCCCCCC1
- Molecular Weight1
- 250.42
- CAS
- 542-46-1
- Other Names
-
- (Z)-9-cycloheptadecen-1-one
- 9-Cycloheptadecen-1-one
- Civetone
- Zibeton
- cis-Civetone
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3245 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -10480.00 | kJ/mol | NIST |
| ΔfG° | -101.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -408.00 ± 14.00 | kJ/mol | NIST |
| ΔfH°solid | -484.00 ± 14.00 | kJ/mol | NIST |
| ΔfusH° | 8.18 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 75.70 ± 0.84 | kJ/mol | NIST |
| ΔvapH° | 83.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.587 | Crippen Calculated Property | |
| McVol | 236.800 | ml/mol | McGowan Calculated Property |
| Pc | 1947.51 | kPa | Joback Calculated Property |
| Tboil | 642.67 | K | Relay (1.0) Calculated Property |
| Tc | 842.14 | K | Relay (1.0) Calculated Property |
| Tfus | 305.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.738 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [432.20; 615.20] | K | [0.30; 98.90] |
|
| Tboilr | 432.20 | K | 0.30 | NIST |
| Tboilr | 615.20 | K | 98.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.82; 862.19] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -9.62300e+01 | |||
| Coefficient B | 1.43750e+00 | |||
| Coefficient C | -2.70280e-04 | |||
| Coefficient D | -2.08800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 271.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 369.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 460.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 544.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 620.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 688.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 746.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 795.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 834.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 862.19 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 9-Cycloheptadecen-1-one, (Z)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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