Chemical Properties of neo-dihydro carveol acetate

InChI

InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11-,12+/m0/s1

InChI Key

TUSIZTVSUSBSQI-ZMLRMANQSA-N

Formula

C12H20O2

SMILES

C=C(C)C1CCC(C)C(OC(C)=O)C1

Molecular Weight¹

196.29

Other Names

• dihydro neo-carveol acetate

• 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.
• 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
ω	0.4157		Relay (1.0) Calculated Property
ΔfG°	-95.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-471.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.01	kJ/mol	Joback Calculated Property
ΔvapH°	67.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-3.17		Relay (1.0) Calculated Property
logPoct/wat	2.930		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Pc	2187.68	kPa	Joback Calculated Property
Inp	[1285.00; 1303.00]
Inp	1298.00		NIST
Inp	1285.00		NIST
Inp	1303.00		NIST
Inp	1292.00		NIST
Inp	1303.00		NIST
Inp	1298.00		NIST
Inp	1285.00		NIST
I	1685.00		NIST
Tboil	510.72	K	Relay (1.0) Calculated Property
Tc	699.81	K	Relay (1.0) Calculated Property
Tfus	238.84	K	Relay (1.0) Calculated Property
Vc	0.597	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.53; 539.15]	J/mol×K	[557.02; 763.76]
Cp,gas	435.53	J/mol×K	557.02	Joback Calculated Property
Cp,gas	455.28	J/mol×K	591.48	Joback Calculated Property
Cp,gas	474.03	J/mol×K	625.93	Joback Calculated Property
Cp,gas	491.78	J/mol×K	660.39	Joback Calculated Property
Cp,gas	508.54	J/mol×K	694.85	Joback Calculated Property
Cp,gas	524.33	J/mol×K	729.31	Joback Calculated Property
Cp,gas	539.15	J/mol×K	763.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to neo-dihydro carveol acetate.

Sources

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

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