Chemical Properties of Methylmyrtenate (CAS 30649-97-9)

InChI

InChI=1S/C11H16O2/c1-11(2)7-4-5-8(9(11)6-7)10(12)13-3/h5,7,9H,4,6H2,1-3H3

InChI Key

HBIHNNBZGOVTTR-UHFFFAOYSA-N

Formula

C11H16O2

SMILES

COC(=O)C1=CCC2CC1C2(C)C

Molecular Weight¹

180.24

CAS

30649-97-9

• 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).
• 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°	-75.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-334.52	kJ/mol	Joback Calculated Property
ΔfusH°	16.81	kJ/mol	Joback Calculated Property
ΔvapH°	48.73	kJ/mol	Joback Calculated Property
log10WS	-2.21		Crippen Calculated Property
logPoct/wat	2.152		Crippen Calculated Property
McVol	147.270	ml/mol	McGowan Calculated Property
Pc	2741.15	kPa	Joback Calculated Property
Inp	[1275.00; 1301.30]
Inp	1301.30		NIST
Inp	1275.00		NIST
Inp	1282.00		NIST
Inp	1282.00		NIST
Inp	1301.30		NIST
Inp	1275.00		NIST
I	[1670.00; 1670.00]
I	1670.00		NIST
I	1670.00		NIST
Tboil	544.83	K	Joback Calculated Property
Tc	758.79	K	Joback Calculated Property
Tfus	351.19	K	Joback Calculated Property
Vc	0.565	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[370.41; 455.39]	J/mol×K	[544.83; 758.79]
Cp,gas	370.41	J/mol×K	544.83	Joback Calculated Property
Cp,gas	386.76	J/mol×K	580.49	Joback Calculated Property
Cp,gas	402.06	J/mol×K	616.15	Joback Calculated Property
Cp,gas	416.45	J/mol×K	651.81	Joback Calculated Property
Cp,gas	430.05	J/mol×K	687.47	Joback Calculated Property
Cp,gas	442.98	J/mol×K	723.13	Joback Calculated Property
Cp,gas	455.39	J/mol×K	758.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methylmyrtenate.

Sources

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

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