- InChI
- InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)
- InChI Key
- YMGUBTXCNDTFJI-UHFFFAOYSA-N
- Formula
- C4H6O2
- SMILES
- O=C(O)C1CC1
- Molecular Weight1
- 86.09
- CAS
- 1759-53-1
- Other Names
-
- Carboxycyclopropane
- Cyclopropionic acid
- Cyclopropylcarboxylic acid
- Cyclopropylmethanoic acid
- Cyclpropanecarboxylic acid
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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.
- 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 |
|---|---|---|---|
| PAff | 821.40 | kJ/mol | NIST |
| BasG | 790.40 | kJ/mol | NIST |
| ΔcH°liquid | [-2035.00; -2007.00] | kJ/mol |
|
| ΔcH°liquid | -2035.00 | kJ/mol | NIST |
| ΔcH°liquid | -2007.00 | kJ/mol | NIST |
| ΔfG° | -222.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.84 | kJ/mol | Joback Calculated Property |
| IE | 10.64 | eV | NIST |
| log10WS | -0.25 | Crippen Calculated Property | |
| logPoct/wat | 0.481 | Crippen Calculated Property | |
| McVol | 63.800 | ml/mol | McGowan Calculated Property |
| Pc | 5765.39 | kPa | Joback Calculated Property |
| Inp | 900.00 | NIST | |
| I | [1811.00; 1811.00] |
|
|
| I | 1811.00 | NIST | |
| I | 1811.00 | NIST | |
| Tboil | [456.00; 456.20] | K |
|
| Tboil | 456.20 | K | NIST |
| Tboil | 456.00 ± 1.00 | K | NIST |
| Tc | 631.68 | K | Joback Calculated Property |
| Tfus | 263.53 | K | Joback Calculated Property |
| Vc | 0.241 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.68; 167.74] | J/mol×K | [443.71; 631.68] |
|
| Cp,gas | 129.68 | J/mol×K | 443.71 | Joback Calculated Property |
| Cp,gas | 137.08 | J/mol×K | 475.04 | Joback Calculated Property |
| Cp,gas | 144.02 | J/mol×K | 506.37 | Joback Calculated Property |
| Cp,gas | 150.53 | J/mol×K | 537.70 | Joback Calculated Property |
| Cp,gas | 156.64 | J/mol×K | 569.02 | Joback Calculated Property |
| Cp,gas | 162.37 | J/mol×K | 600.35 | Joback Calculated Property |
| Cp,gas | 167.74 | J/mol×K | 631.68 | Joback Calculated Property |
| η | [0.0014590; 0.0033060] | Pa×s | [298.15; 338.15] |
|
| η | 0.0033060 | Pa×s | 298.15 | Densiti... |
| η | 0.0026030 | Pa×s | 308.15 | Densiti... |
| η | 0.0021020 | Pa×s | 318.15 | Densiti... |
| η | 0.0017390 | Pa×s | 328.15 | Densiti... |
| η | 0.0014590 | Pa×s | 338.15 | Densiti... |
| ΔvapH | [48.80; 58.90] | kJ/mol | [415.00; 415.00] |
|
| ΔvapH | 58.90 ± 0.30 | kJ/mol | 415.00 | NIST |
| ΔvapH | 55.70 ± 0.20 | kJ/mol | 415.00 | NIST |
| ΔvapH | 52.40 ± 0.20 | kJ/mol | 415.00 | NIST |
| ΔvapH | 48.80 ± 0.40 | kJ/mol | 415.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [346.92; 482.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56785e+01 | |||
| Coefficient B | -4.29345e+03 | |||
| Coefficient C | -6.79600e+01 | |||
| Temperature range, min. | 346.92 | |||
| Temperature range, max. | 482.10 | |||
| Pvap | 1.33 | kPa | 346.92 | Calculated Property |
| Pvap | 2.93 | kPa | 361.94 | Calculated Property |
| Pvap | 5.95 | kPa | 376.96 | Calculated Property |
| Pvap | 11.34 | kPa | 391.98 | Calculated Property |
| Pvap | 20.39 | kPa | 407.00 | Calculated Property |
| Pvap | 34.89 | kPa | 422.02 | Calculated Property |
| Pvap | 57.15 | kPa | 437.04 | Calculated Property |
| Pvap | 90.07 | kPa | 452.06 | Calculated Property |
| Pvap | 137.17 | kPa | 467.08 | Calculated Property |
| Pvap | 202.63 | kPa | 482.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid.
Mixtures
- Cyclopropanecarboxylic acid + Methyl Alcohol
- Ethanol + Cyclopropanecarboxylic acid
- 1-Propanol + Cyclopropanecarboxylic acid
- 1-Butanol + Cyclopropanecarboxylic acid
Sources
- Crippen Method
- Crippen Method
- Densities and Viscosities of Binary Mixtures of Cyclopropanecarboxylic Acid with Methanol, Ethanol, Propan-1-ol, and Butan-1-ol at Different Temperatures
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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