- InChI
- InChI=1S/C9H17ClO2/c1-9(11)12-8-6-4-2-3-5-7-10/h2-8H2,1H3
- InChI Key
- LXRXULXXDBOGAE-UHFFFAOYSA-N
- Formula
- C9H17ClO2
- SMILES
- CC(=O)OCCCCCCCCl
- Molecular Weight1
- 192.69
- 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 | 0.6187 | Relay (1.0) Calculated Property | |
| ΔfG° | -297.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.739 | Crippen Calculated Property | |
| McVol | 157.350 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | [1329.00; 1354.00] |
|
|
| Inp | 1342.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1354.00 | NIST | |
| I | [1846.00; 1904.00] |
|
|
| I | 1846.00 | NIST | |
| I | 1857.00 | NIST | |
| I | 1889.00 | NIST | |
| I | 1894.00 | NIST | |
| I | 1904.00 | NIST | |
| I | 1846.00 | NIST | |
| Tboil | 509.33 | K | Relay (1.0) Calculated Property |
| Tc | 695.94 | K | Relay (1.0) Calculated Property |
| Tfus | 250.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.597 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.02; 417.43] | J/mol×K | [501.17; 677.44] |
|
| Cp,gas | 347.02 | J/mol×K | 501.17 | Joback Calculated Property |
| Cp,gas | 360.10 | J/mol×K | 530.55 | Joback Calculated Property |
| Cp,gas | 372.62 | J/mol×K | 559.93 | Joback Calculated Property |
| Cp,gas | 384.61 | J/mol×K | 589.30 | Joback Calculated Property |
| Cp,gas | 396.08 | J/mol×K | 618.68 | Joback Calculated Property |
| Cp,gas | 407.01 | J/mol×K | 648.06 | Joback Calculated Property |
| Cp,gas | 417.43 | J/mol×K | 677.44 | Joback Calculated Property |
| η | [0.0002242; 0.0049516] | Pa×s | [263.44; 501.17] |
|
| η | 0.0049516 | Pa×s | 263.44 | Joback Calculated Property |
| η | 0.0021100 | Pa×s | 303.06 | Joback Calculated Property |
| η | 0.0010951 | Pa×s | 342.68 | Joback Calculated Property |
| η | 0.0006512 | Pa×s | 382.31 | Joback Calculated Property |
| η | 0.0004269 | Pa×s | 421.93 | Joback Calculated Property |
| η | 0.0003009 | Pa×s | 461.55 | Joback Calculated Property |
| η | 0.0002242 | Pa×s | 501.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptanol, 7-chloro, acetate.
Sources
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