Chemical Properties of (1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid (CAS 4638-92-0)

InChI

InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)

InChI Key

XLOPRKKSAJMMEW-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC(C)=CC1C(C(=O)O)C1(C)C

Molecular Weight¹

168.23

CAS

4638-92-0

Other Names

• Chrysanthemic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5523		Relay (1.0) Calculated Property
ΔfG°	-120.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.21	kJ/mol	Joback Calculated Property
ΔvapH°	81.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-2.15		Relay (1.0) Calculated Property
logPoct/wat	2.309		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Pc	2899.85	kPa	Joback Calculated Property
Inp	[1343.20; 1343.20]
Inp	1343.20		NIST
Inp	1343.20		NIST
Tboil	495.68	K	Relay (1.0) Calculated Property
Tc	715.94	K	Relay (1.0) Calculated Property
Tfus	330.29	K	Relay (1.0) Calculated Property
Vc	0.475	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[370.33; 439.13]	J/mol×K	[575.93; 769.15]
Cp,gas	370.33	J/mol×K	575.93	Joback Calculated Property
Cp,gas	383.28	J/mol×K	608.13	Joback Calculated Property
Cp,gas	395.50	J/mol×K	640.34	Joback Calculated Property
Cp,gas	407.10	J/mol×K	672.54	Joback Calculated Property
Cp,gas	418.17	J/mol×K	704.74	Joback Calculated Property
Cp,gas	428.81	J/mol×K	736.94	Joback Calculated Property
Cp,gas	439.13	J/mol×K	769.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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