- InChI
- InChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
- InChI Key
- XGISHOFUAFNYQF-UHFFFAOYSA-N
- Formula
- C5H9ClO
- SMILES
- CCCCC(=O)Cl
- Molecular Weight1
- 120.58
- CAS
- 638-29-9
- Other Names
-
- UN 2502
- Valeroyl chloride
- Valeryl chloride
- n-Valeroyl chloride
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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 | 0.3879 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.942 | Crippen Calculated Property | |
| McVol | 95.120 | ml/mol | McGowan Calculated Property |
| Pc | 3577.07 | kPa | Joback Calculated Property |
| Inp | 809.40 | NIST | |
| Tboil | [399.20; 400.40] | K |
|
| Tboil | 399.20 | K | NIST |
| Tboil | 400.40 ± 0.60 | K | NIST |
| Tc | 571.80 | K | Relay (1.0) Calculated Property |
| Tfus | 193.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.17; 211.83] | J/mol×K | [405.10; 591.48] |
|
| Cp,gas | 166.17 | J/mol×K | 405.10 | Joback Calculated Property |
| Cp,gas | 174.65 | J/mol×K | 436.16 | Joback Calculated Property |
| Cp,gas | 182.77 | J/mol×K | 467.23 | Joback Calculated Property |
| Cp,gas | 190.54 | J/mol×K | 498.29 | Joback Calculated Property |
| Cp,gas | 197.97 | J/mol×K | 529.35 | Joback Calculated Property |
| Cp,gas | 205.06 | J/mol×K | 560.42 | Joback Calculated Property |
| Cp,gas | 211.83 | J/mol×K | 591.48 | Joback Calculated Property |
| Cp,liquid | 187.90 | J/mol×K | 298.00 | NIST |
| η | [0.0003596; 0.0037554] | Pa×s | [225.96; 405.10] |
|
| η | 0.0037554 | Pa×s | 225.96 | Joback Calculated Property |
| η | 0.0020219 | Pa×s | 255.82 | Joback Calculated Property |
| η | 0.0012390 | Pa×s | 285.67 | Joback Calculated Property |
| η | 0.0008330 | Pa×s | 315.53 | Joback Calculated Property |
| η | 0.0005998 | Pa×s | 345.39 | Joback Calculated Property |
| η | 0.0004551 | Pa×s | 375.24 | Joback Calculated Property |
| η | 0.0003596 | Pa×s | 405.10 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.91; 202.64] | kPa | [307.00; 447.17] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.66775e+01 | |||
| Coefficient B | -4.93981e+03 | |||
| Coefficient C | -1.25600e+01 | |||
| Temperature range, min. | 307.00 | |||
| Temperature range, max. | 447.17 | |||
| Pvap | 0.91 | kPa | 307.00 | Calculated Property |
| Pvap | 2.10 | kPa | 322.57 | Calculated Property |
| Pvap | 4.51 | kPa | 338.15 | Calculated Property |
| Pvap | 9.01 | kPa | 353.72 | Calculated Property |
| Pvap | 16.95 | kPa | 369.30 | Calculated Property |
| Pvap | 30.25 | kPa | 384.87 | Calculated Property |
| Pvap | 51.54 | kPa | 400.45 | Calculated Property |
| Pvap | 84.26 | kPa | 416.02 | Calculated Property |
| Pvap | 132.82 | kPa | 431.60 | Calculated Property |
| Pvap | 202.64 | kPa | 447.17 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoyl 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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