- InChI
- InChI=1S/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3
- InChI Key
- UCVODTZQZHMTPN-UHFFFAOYSA-N
- Formula
- C7H13ClO
- SMILES
- CCCCCCC(=O)Cl
- Molecular Weight1
- 148.63
- CAS
- 2528-61-2
- Other Names
-
- Enanthoyl chloride
- Enanthyl chloride
- n-Heptanoyl chloride
- 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).
- Pvap : Vapor 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 | 0.4814 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.722 | Crippen Calculated Property | |
| McVol | 123.300 | ml/mol | McGowan Calculated Property |
| Pc | 2878.12 | kPa | Joback Calculated Property |
| Inp | 1012.10 | NIST | |
| Tboil | [397.00; 446.20] | K |
|
| Tboil | 446.20 | K | NIST |
| Tboil | 398.40 | K | NIST |
| Tboil | 397.00 ± 4.00 | K | NIST |
| Tboil | 418.00 ± 4.00 | K | NIST |
| Tc | 622.37 | K | Relay (1.0) Calculated Property |
| Tfus | 224.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.459 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.45; 301.60] | J/mol×K | [450.86; 634.19] |
|
| Cp,gas | 242.45 | J/mol×K | 450.86 | Joback Calculated Property |
| Cp,gas | 253.46 | J/mol×K | 481.42 | Joback Calculated Property |
| Cp,gas | 263.99 | J/mol×K | 511.97 | Joback Calculated Property |
| Cp,gas | 274.05 | J/mol×K | 542.53 | Joback Calculated Property |
| Cp,gas | 283.67 | J/mol×K | 573.08 | Joback Calculated Property |
| Cp,gas | 292.85 | J/mol×K | 603.64 | Joback Calculated Property |
| Cp,gas | 301.60 | J/mol×K | 634.19 | Joback Calculated Property |
| η | [0.0003348; 0.0041001] | Pa×s | [248.50; 450.86] |
|
| η | 0.0041001 | Pa×s | 248.50 | Joback Calculated Property |
| η | 0.0021043 | Pa×s | 282.23 | Joback Calculated Property |
| η | 0.0012453 | Pa×s | 315.95 | Joback Calculated Property |
| η | 0.0008154 | Pa×s | 349.68 | Joback Calculated Property |
| η | 0.0005752 | Pa×s | 383.41 | Joback Calculated Property |
| η | 0.0004293 | Pa×s | 417.13 | Joback Calculated Property |
| η | 0.0003348 | Pa×s | 450.86 | Joback Calculated Property |
| ΔvapH | 63.70 | kJ/mol | 362.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [336.55; 505.57] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.29439e+01 | |||
| Coefficient B | -1.34400e+04 | |||
| Coefficient C | 2.56668e+02 | |||
| Temperature range, min. | 336.55 | |||
| Temperature range, max. | 505.57 | |||
| Pvap | 1.33 | kPa | 336.55 | Calculated Property |
| Pvap | 2.67 | kPa | 355.33 | Calculated Property |
| Pvap | 5.14 | kPa | 374.11 | Calculated Property |
| Pvap | 9.52 | kPa | 392.89 | Calculated Property |
| Pvap | 17.02 | kPa | 411.67 | Calculated Property |
| Pvap | 29.49 | kPa | 430.45 | Calculated Property |
| Pvap | 49.61 | kPa | 449.23 | Calculated Property |
| Pvap | 81.26 | kPa | 468.01 | Calculated Property |
| Pvap | 129.82 | kPa | 486.79 | Calculated Property |
| Pvap | 202.67 | kPa | 505.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoyl chloride.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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