- InChI
- InChI=1S/C16H31ClO2/c1-16(18)19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-17/h2-15H2,1H3
- InChI Key
- KNCYMLPVRRLJEN-UHFFFAOYSA-N
- Formula
- C16H31ClO2
- SMILES
- CC(=O)OCCCCCCCCCCCCCCCl
- Molecular Weight1
- 290.87
- Other Names
-
- 14-Chlorotetradecyl acetate
- 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).
- 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 | 0.8697 | Relay (1.0) Calculated Property | |
| ΔfG° | -238.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -731.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.470 | Crippen Calculated Property | |
| McVol | 255.980 | ml/mol | McGowan Calculated Property |
| Pc | 1288.36 | kPa | Joback Calculated Property |
| Inp | [2066.00; 2072.00] |
|
|
| Inp | 2066.00 | NIST | |
| Inp | 2068.00 | NIST | |
| Inp | 2072.00 | NIST | |
| I | [2589.00; 2635.00] |
|
|
| I | 2589.00 | NIST | |
| I | 2608.00 | NIST | |
| I | 2620.00 | NIST | |
| I | 2635.00 | NIST | |
| I | 2589.00 | NIST | |
| Tboil | 582.11 | K | Relay (1.0) Calculated Property |
| Tc | 776.63 | K | Relay (1.0) Calculated Property |
| Tfus | 300.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.987 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [702.75; 794.94] | J/mol×K | [661.33; 831.11] |
|
| Cp,gas | 702.75 | J/mol×K | 661.33 | Joback Calculated Property |
| Cp,gas | 720.06 | J/mol×K | 689.63 | Joback Calculated Property |
| Cp,gas | 736.57 | J/mol×K | 717.92 | Joback Calculated Property |
| Cp,gas | 752.30 | J/mol×K | 746.22 | Joback Calculated Property |
| Cp,gas | 767.26 | J/mol×K | 774.51 | Joback Calculated Property |
| Cp,gas | 781.47 | J/mol×K | 802.81 | Joback Calculated Property |
| Cp,gas | 794.94 | J/mol×K | 831.11 | Joback Calculated Property |
| η | [0.0000992; 0.0028300] | Pa×s | [342.33; 661.33] |
|
| η | 0.0028300 | Pa×s | 342.33 | Joback Calculated Property |
| η | 0.0011123 | Pa×s | 395.50 | Joback Calculated Property |
| η | 0.0005455 | Pa×s | 448.66 | Joback Calculated Property |
| η | 0.0003111 | Pa×s | 501.83 | Joback Calculated Property |
| η | 0.0001976 | Pa×s | 555.00 | Joback Calculated Property |
| η | 0.0001359 | Pa×s | 608.16 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 661.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Tetradecanol, 14-chloro, acetate.
Sources
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