- InChI
- InChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
- InChI Key
- UXMQORVHJMUQFD-UHFFFAOYSA-N
- Formula
- C13H18O
- SMILES
- CCCCCCC(=O)c1ccccc1
- Molecular Weight1
- 190.28
- CAS
- 1671-75-6
- Other Names
-
- n-Heptanophenone
- 1-Heptanone, 1-phenyl-
- 1-Phenylheptan-1-one
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.5940 | Relay (1.0) Calculated Property | |
| ΔfG° | 42.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -194.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.840 | Crippen Calculated Property | |
| McVol | 171.840 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Inp | [1538.00; 1538.00] |
|
|
| Inp | 1538.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Tboil | 547.98 | K | Relay (1.0) Calculated Property |
| Tc | 752.77 | K | Relay (1.0) Calculated Property |
| Tfus | 290.00 ± 3.00 | K | NIST |
| Vc | 0.642 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.88; 500.72] | J/mol×K | [577.39; 782.30] |
|
| Cp,gas | 416.88 | J/mol×K | 577.39 | Joback Calculated Property |
| Cp,gas | 433.07 | J/mol×K | 611.54 | Joback Calculated Property |
| Cp,gas | 448.32 | J/mol×K | 645.69 | Joback Calculated Property |
| Cp,gas | 462.68 | J/mol×K | 679.84 | Joback Calculated Property |
| Cp,gas | 476.17 | J/mol×K | 713.99 | Joback Calculated Property |
| Cp,gas | 488.84 | J/mol×K | 748.15 | Joback Calculated Property |
| Cp,gas | 500.72 | J/mol×K | 782.30 | Joback Calculated Property |
| η | [0.0002089; 0.0029900] | Pa×s | [312.62; 577.39] |
|
| η | 0.0029900 | Pa×s | 312.62 | Joback Calculated Property |
| η | 0.0014586 | Pa×s | 356.75 | Joback Calculated Property |
| η | 0.0008333 | Pa×s | 400.88 | Joback Calculated Property |
| η | 0.0005320 | Pa×s | 445.00 | Joback Calculated Property |
| η | 0.0003683 | Pa×s | 489.13 | Joback Calculated Property |
| η | 0.0002710 | Pa×s | 533.26 | Joback Calculated Property |
| η | 0.0002089 | Pa×s | 577.39 | Joback Calculated Property |
| ΔvapH | 64.60 | kJ/mol | 461.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 428.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Heptanophenone.
Sources
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