Chemical Properties of 1,3,3-Trimethylcyclohex-1-ene-4-carboxylic acid (CAS 13746-43-5)

InChI

InChI=1S/C10H16O2/c1-7-4-5-8(9(11)12)10(2,3)6-7/h6,8H,4-5H2,1-3H3,(H,11,12)

InChI Key

LMQGITVNFNTYPJ-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC1=CC(C)(C)C(C(=O)O)CC1

Molecular Weight¹

168.23

CAS

13746-43-5

Other Names

• 2,2,4-Trimethylcyclohex-3-ene-1-carboxylic 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	0.5489		Relay (1.0) Calculated Property
ΔfG°	-200.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-425.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.78	kJ/mol	Joback Calculated Property
ΔvapH°	81.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-1.99		Relay (1.0) Calculated Property
logPoct/wat	2.454		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Pc	3138.51	kPa	Joback Calculated Property
Inp	[1301.70; 1301.70]
Inp	1301.70		NIST
Inp	1301.70		NIST
Tboil	515.28	K	Relay (1.0) Calculated Property
Tc	737.12	K	Relay (1.0) Calculated Property
Tfus	325.96	K	Relay (1.0) Calculated Property
Vc	0.476	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[370.88; 444.93]	J/mol×K	[593.51; 797.37]
Cp,gas	370.88	J/mol×K	593.51	Joback Calculated Property
Cp,gas	384.77	J/mol×K	627.49	Joback Calculated Property
Cp,gas	397.93	J/mol×K	661.46	Joback Calculated Property
Cp,gas	410.44	J/mol×K	695.44	Joback Calculated Property
Cp,gas	422.39	J/mol×K	729.41	Joback Calculated Property
Cp,gas	433.86	J/mol×K	763.39	Joback Calculated Property
Cp,gas	444.93	J/mol×K	797.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,3-Trimethylcyclohex-1-ene-4-carboxylic acid.

Sources

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

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