- InChI
- InChI=1S/C11H19ClO2/c1-2-3-4-5-6-8-11(13)14-10-7-9-12/h7,9H,2-6,8,10H2,1H3/b9-7+
- InChI Key
- DQDAHPGZXVTTSA-VQHVLOKHSA-N
- Formula
- C11H19ClO2
- SMILES
- CCCCCCCC(=O)OCC=CCl
- Molecular Weight1
- 218.72
- 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).
- 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 | 0.6194 | Relay (1.0) Calculated Property | |
| ΔfG° | -123.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.643 | Crippen Calculated Property | |
| McVol | 181.230 | ml/mol | McGowan Calculated Property |
| Pc | 2041.91 | kPa | Joback Calculated Property |
| Inp | 1468.00 | NIST | |
| Tboil | 519.04 | K | Relay (1.0) Calculated Property |
| Tc | 700.07 | K | Relay (1.0) Calculated Property |
| Tfus | 232.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.48; 501.90] | J/mol×K | [568.96; 751.82] | 
|
| Cp,gas | 427.48 | J/mol×K | 568.96 | Joback Calculated Property |
| Cp,gas | 441.43 | J/mol×K | 599.44 | Joback Calculated Property |
| Cp,gas | 454.74 | J/mol×K | 629.91 | Joback Calculated Property |
| Cp,gas | 467.42 | J/mol×K | 660.39 | Joback Calculated Property |
| Cp,gas | 479.49 | J/mol×K | 690.86 | Joback Calculated Property |
| Cp,gas | 490.98 | J/mol×K | 721.34 | Joback Calculated Property |
| Cp,gas | 501.90 | J/mol×K | 751.82 | Joback Calculated Property |
| η | [0.0001687; 0.0025601] | Pa×s | [310.73; 568.96] |
|
| η | 0.0025601 | Pa×s | 310.73 | Joback Calculated Property |
| η | 0.0012349 | Pa×s | 353.77 | Joback Calculated Property |
| η | 0.0006978 | Pa×s | 396.81 | Joback Calculated Property |
| η | 0.0004409 | Pa×s | 439.85 | Joback Calculated Property |
| η | 0.0003023 | Pa×s | 482.88 | Joback Calculated Property |
| η | 0.0002205 | Pa×s | 525.92 | Joback Calculated Property |
| η | 0.0001687 | Pa×s | 568.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 3-chloroprop-2-enyl ester.
Sources
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