Chemical Properties of Cyclopropanecarboxylic acid (CAS 1759-53-1)

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).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

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
ΔfH°gas	-344.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.94	kJ/mol	Joback Calculated Property
ΔvapH°	64.08	kJ/mol	Relay (1.0) Calculated Property
IE	10.64	eV	NIST
log10WS	-0.10		Relay (1.0) Calculated Property
logPoct/wat	0.481		Crippen Calculated Property
McVol	63.800	ml/mol	McGowan 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
Tfus	314.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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	Densities and Viscosities of Binary Mixtures of Cyclopropanecarboxylic Acid with Methanol, Ethanol, Propan-1-ol, and Butan-1-ol at Different Temperatures
η	0.0026030	Pa×s	308.15	Densities and Viscosities of Binary Mixtures of Cyclopropanecarboxylic Acid with Methanol, Ethanol, Propan-1-ol, and Butan-1-ol at Different Temperatures
η	0.0021020	Pa×s	318.15	Densities and Viscosities of Binary Mixtures of Cyclopropanecarboxylic Acid with Methanol, Ethanol, Propan-1-ol, and Butan-1-ol at Different Temperatures
η	0.0017390	Pa×s	328.15	Densities and Viscosities of Binary Mixtures of Cyclopropanecarboxylic Acid with Methanol, Ethanol, Propan-1-ol, and Butan-1-ol at Different Temperatures
η	0.0014590	Pa×s	338.15	Densities and Viscosities of Binary Mixtures of Cyclopropanecarboxylic Acid with Methanol, Ethanol, Propan-1-ol, and Butan-1-ol at Different Temperatures
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 Yaws Handbook of Vapor Pressure
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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.