Chemical Properties of 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate (CAS 97-42-7)

InChI

InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3

InChI Key

YTHRBOFHFYZBRJ-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

C=C(C)C1CC=C(C)C(OC(C)=O)C1

Molecular Weight¹

194.27

CAS

97-42-7

Other Names

• p-Mentha-6,8-dien-2-ol, acetate
• Carveol acetate
• Carvyl acetate
• L-Carvyl acetate
• 6-Acetoxy-p-mentha-1,8-diene
• p-Mentha-6,8-dien-2-yl acetate
• 6-Acetoxy-p-menta-1,8-diene
• p-mentha-1(6),8-dien-2-yl 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	0.3914		Relay (1.0) Calculated Property
ΔfG°	-67.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-384.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.77	kJ/mol	Joback Calculated Property
ΔvapH°	67.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-2.89		Relay (1.0) Calculated Property
logPoct/wat	2.850		Crippen Calculated Property
McVol	167.920	ml/mol	McGowan Calculated Property
Pc	2302.53	kPa	Joback Calculated Property
Inp	[1333.00; 1368.00]
Inp	1334.00		NIST
Inp	1339.00		NIST
Inp	1340.00		NIST
Inp	1345.00		NIST
Inp	Outlier 1368.00		NIST
Inp	1337.00		NIST
Inp	1333.00		NIST
Inp	1341.00		NIST
Inp	1334.00		NIST
Inp	1339.00		NIST
I	[1759.00; 1777.00]
I	1759.00		NIST
I	1777.00		NIST
I	1759.00		NIST
Tboil	503.60	K	Relay (1.0) Calculated Property
Tc	694.63	K	Relay (1.0) Calculated Property
Tfus	236.35	K	Relay (1.0) Calculated Property
Vc	0.574	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[415.61; 509.31]	J/mol×K	[565.83; 775.66]
Cp,gas	415.61	J/mol×K	565.83	Joback Calculated Property
Cp,gas	433.54	J/mol×K	600.80	Joback Calculated Property
Cp,gas	450.52	J/mol×K	635.77	Joback Calculated Property
Cp,gas	466.58	J/mol×K	670.74	Joback Calculated Property
Cp,gas	481.72	J/mol×K	705.71	Joback Calculated Property
Cp,gas	495.96	J/mol×K	740.68	Joback Calculated Property
Cp,gas	509.31	J/mol×K	775.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.