- InChI
- InChI=1S/C7H13ClO2/c1-2-6-10-7(9)4-3-5-8/h2-6H2,1H3
- InChI Key
- RGFHUYWGQUDWDL-UHFFFAOYSA-N
- Formula
- C7H13ClO2
- SMILES
- CCCOC(=O)CCCCl
- Molecular Weight1
- 164.63
- CAS
- 3153-35-3
- Other Names
-
- Propyl 4-chlorobutanoate
- n-Propyl-4-chlorobutyrate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | [-4044.70; -4037.00] | kJ/mol |
|
| ΔcH°liquid | -4044.70 ± 8.40 | kJ/mol | NIST |
| ΔcH°liquid | -4037.00 | kJ/mol | NIST |
| ΔfG° | -237.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.10 ± 9.60 | kJ/mol | NIST |
| ΔfH°liquid | -591.60 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 20.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.60 ± 4.20 | kJ/mol | NIST |
| log10WS | -1.77 | Crippen Calculated Property | |
| logPoct/wat | 1.959 | Crippen Calculated Property | |
| McVol | 129.170 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Inp | [1100.00; 1117.00] |
|
|
| Inp | 1117.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Tboil | 473.28 | K | Joback Calculated Property |
| Tc | 655.90 | K | Joback Calculated Property |
| Tfus | 270.73 | K | Joback Calculated Property |
| Vc | 0.500 | m3/kmol | Joback 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 |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro, propyl ester.
Sources
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