Chemical Properties of Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester (CAS 7774-65-4)

InChI

InChI=1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3

InChI Key

SMQUXKIIXFOJKI-UHFFFAOYSA-N

Formula

C14H24O2

SMILES

CC1=CCC(C(C)(C)OC(=O)C(C)C)CC1

Molecular Weight¹

224.34

CAS

7774-65-4

Other Names

• «alpha»-Terpinyl ester of isobutanoic acid
• Terpinyl isobutyrate
• 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate
• «alpha»-Terpinyl isobutyrate
• p-Menth-1-en-8-yl isobutyrate
• 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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.
• I : 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
ΔfG°	-121.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-490.49	kJ/mol	Joback Calculated Property
ΔfusH°	16.53	kJ/mol	Joback Calculated Property
ΔvapH°	55.61	kJ/mol	Joback Calculated Property
log10WS	-3.92		Crippen Calculated Property
logPoct/wat	3.711		Crippen Calculated Property
McVol	200.400	ml/mol	McGowan Calculated Property
Pc	1952.68	kPa	Joback Calculated Property
Inp	[1462.40; 1467.00]
Inp	1462.40		NIST
Inp	1467.00		NIST
Inp	1462.40		NIST
Inp	1467.00		NIST
I	[1748.00; 1751.00]
I	1751.00		NIST
I	1748.00		NIST
I	1751.00		NIST
I	1748.00		NIST
Tboil	616.03	K	Joback Calculated Property
Tc	827.74	K	Joback Calculated Property
Tfus	327.78	K	Joback Calculated Property
Vc	0.746	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[541.93; 645.18]	J/mol×K	[616.03; 827.74]
Cp,gas	541.93	J/mol×K	616.03	Joback Calculated Property
Cp,gas	562.04	J/mol×K	651.32	Joback Calculated Property
Cp,gas	580.94	J/mol×K	686.60	Joback Calculated Property
Cp,gas	598.66	J/mol×K	721.89	Joback Calculated Property
Cp,gas	615.25	J/mol×K	757.17	Joback Calculated Property
Cp,gas	630.74	J/mol×K	792.46	Joback Calculated Property
Cp,gas	645.18	J/mol×K	827.74	Joback Calculated Property
η	[0.0001361; 0.0033910]	Pa×s	[327.78; 616.03]
η	0.0033910	Pa×s	327.78	Joback Calculated Property
η	0.0014087	Pa×s	375.82	Joback Calculated Property
η	0.0007141	Pa×s	423.86	Joback Calculated Property
η	0.0004157	Pa×s	471.90	Joback Calculated Property
η	0.0002675	Pa×s	519.95	Joback Calculated Property
η	0.0001854	Pa×s	567.99	Joback Calculated Property
η	0.0001361	Pa×s	616.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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