Chemical Properties of 1-Carboxycyclopropane-2-acetic acid (Z), dimethyl ester (CAS 77462-53-4)

InChI

InChI=1S/C8H12O4/c1-11-7(9)4-5-3-6(5)8(10)12-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1

InChI Key

UXTUIDNFTDLRIX-PHDIDXHHSA-N

Formula

C8H12O4

SMILES

COC(=O)CC1CC1C(=O)OC

Molecular Weight¹

172.18

CAS

77462-53-4

Other Names

• Methyl 2-(2-methoxy-2-oxoethyl)cyclopropanecarboxylate, (Z)-
• 2-Methoxycarbonylmethyl-cyclopropanecarboxylic acid methyl ester, Z

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.42	kJ/mol	Joback Calculated Property
logPoct/wat	0.359		Crippen Calculated Property
McVol	127.600	ml/mol	McGowan Calculated Property
Inp	[1175.00; 1175.00]
Inp	1175.00		NIST
Inp	1175.00		NIST
Tboil	476.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[300.30; 369.27]	J/mol×K	[501.15; 692.29]
Cp,gas	300.30	J/mol×K	501.15	Joback Calculated Property
Cp,gas	313.40	J/mol×K	533.01	Joback Calculated Property
Cp,gas	325.85	J/mol×K	564.86	Joback Calculated Property
Cp,gas	337.65	J/mol×K	596.72	Joback Calculated Property
Cp,gas	348.82	J/mol×K	628.58	Joback Calculated Property
Cp,gas	359.35	J/mol×K	660.43	Joback Calculated Property
Cp,gas	369.27	J/mol×K	692.29	Joback Calculated Property
η	[0.0004247; 0.0023844]	Pa×s	[278.28; 501.15]
η	0.0023844	Pa×s	278.28	Joback Calculated Property
η	0.0015099	Pa×s	315.42	Joback Calculated Property
η	0.0010528	Pa×s	352.57	Joback Calculated Property
η	0.0007863	Pa×s	389.71	Joback Calculated Property
η	0.0006179	Pa×s	426.86	Joback Calculated Property
η	0.0005046	Pa×s	464.00	Joback Calculated Property
η	0.0004247	Pa×s	501.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Carboxycyclopropane-2-acetic acid (Z), dimethyl ester.

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
• Joback Method
• McGowan Method
• NIST Webbook

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.
These property values are available through the Cheméo API. A free account gives you an access key.