- InChI
- InChI=1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
- InChI Key
- KIWBRXCOTCXSSZ-UHFFFAOYSA-N
- Formula
- C7H13ClO2
- SMILES
- CCCCCCOC(=O)Cl
- Molecular Weight1
- 164.63
- CAS
- 6092-54-2
- Other Names
-
- Carbonochloridic acid, hexyl ester
- Hexyl chloridocarbonate
- 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.
- 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 | 0.5429 | Relay (1.0) Calculated Property | |
| ΔfG° | -237.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.942 | Crippen Calculated Property | |
| McVol | 129.170 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Inp | [1055.00; 1055.00] |
|
|
| Inp | 1055.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Tboil | 444.77 | K | Relay (1.0) Calculated Property |
| Tc | 600.14 | K | Relay (1.0) Calculated Property |
| Tfus | 189.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.22; 323.90] | J/mol×K | [473.28; 655.90] |
|
| Cp,gas | 265.22 | J/mol×K | 473.28 | Joback Calculated Property |
| Cp,gas | 276.01 | J/mol×K | 503.72 | Joback Calculated Property |
| Cp,gas | 286.40 | J/mol×K | 534.15 | Joback Calculated Property |
| Cp,gas | 296.38 | J/mol×K | 564.59 | Joback Calculated Property |
| Cp,gas | 305.96 | J/mol×K | 595.03 | Joback Calculated Property |
| Cp,gas | 315.13 | J/mol×K | 625.46 | Joback Calculated Property |
| Cp,gas | 323.90 | J/mol×K | 655.90 | Joback Calculated Property |
| η | [0.0002820; 0.0030645] | Pa×s | [270.73; 473.28] |
|
| η | 0.0030645 | Pa×s | 270.73 | Joback Calculated Property |
| η | 0.0016518 | Pa×s | 304.49 | Joback Calculated Property |
| η | 0.0010072 | Pa×s | 338.25 | Joback Calculated Property |
| η | 0.0006719 | Pa×s | 372.00 | Joback Calculated Property |
| η | 0.0004794 | Pa×s | 405.76 | Joback Calculated Property |
| η | 0.0003603 | Pa×s | 439.52 | Joback Calculated Property |
| η | 0.0002820 | Pa×s | 473.28 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 333.70 | K | 0.90 | NIST |
Similar Compounds
Find more compounds similar to Hexyl chloroformate.
Sources
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