Chemical Properties of Neoisocarvomenthyl acetate (CAS 20777-43-9)

InChI

InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m0/s1

InChI Key

JAKFDYGDDRCJLY-MVWJERBFSA-N

Formula

C12H22O2

SMILES

CC(=O)OC1CC(C(C)C)CCC1C

Molecular Weight¹

198.30

CAS

20777-43-9

Other Names

• iso-neo carvomenthyl acetate
• (1«alpha»,2«alpha»,5«alpha»)-5-(isopropyl)-2-methylcyclohexyl acetate

• 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°	-177.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-527.45	kJ/mol	Joback Calculated Property
ΔfusH°	20.08	kJ/mol	Joback Calculated Property
ΔvapH°	50.89	kJ/mol	Joback Calculated Property
log10WS	-2.99		Crippen Calculated Property
logPoct/wat	3.010		Crippen Calculated Property
McVol	176.520	ml/mol	McGowan Calculated Property
Pc	2110.00	kPa	Joback Calculated Property
Inp	[1312.00; 1351.00]
Inp	1312.00		NIST
Inp	1351.00		NIST
Inp	1341.00		NIST
Inp	1341.00		NIST
Inp	1312.00		NIST
Inp	1341.00		NIST
I	[1672.00; 1672.00]
I	1672.00		NIST
I	1672.00		NIST
Tboil	560.02	K	Joback Calculated Property
Tc	763.29	K	Joback Calculated Property
Tfus	281.06	K	Joback Calculated Property
Vc	0.656	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[456.30; 563.88]	J/mol×K	[560.02; 763.29]
Cp,gas	456.30	J/mol×K	560.02	Joback Calculated Property
Cp,gas	476.71	J/mol×K	593.90	Joback Calculated Property
Cp,gas	496.13	J/mol×K	627.78	Joback Calculated Property
Cp,gas	514.55	J/mol×K	661.66	Joback Calculated Property
Cp,gas	531.98	J/mol×K	695.54	Joback Calculated Property
Cp,gas	548.42	J/mol×K	729.41	Joback Calculated Property
Cp,gas	563.88	J/mol×K	763.29	Joback Calculated Property
η	[0.0002379; 0.0032505]	Pa×s	[281.06; 560.02]
η	0.0032505	Pa×s	281.06	Joback Calculated Property
η	0.0015430	Pa×s	327.55	Joback Calculated Property
η	0.0008815	Pa×s	374.05	Joback Calculated Property
η	0.0005700	Pa×s	420.54	Joback Calculated Property
η	0.0004019	Pa×s	467.03	Joback Calculated Property
η	0.0003020	Pa×s	513.53	Joback Calculated Property
η	0.0002379	Pa×s	560.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Neoisocarvomenthyl acetate.

Sources

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

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