Chemical Properties of trans-Methylisocosticate (CAS 132342-55-3)

InChI

InChI=1S/C16H24O2/c1-11-6-5-8-16(3)9-7-13(10-14(11)16)12(2)15(17)18-4/h13H,2,5-10H2,1,3-4H3/t13-,16-/m0/s1

InChI Key

OWZSHJKGKHTKDS-BBRMVZONSA-N

Formula

C16H24O2

SMILES

C=C(C(=O)OC)C1CCC2(C)CCCC(C)=C2C1

Molecular Weight¹

248.36

CAS

132342-55-3

• 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.
• 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°	7.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-331.69	kJ/mol	Joback Calculated Property
ΔfusH°	19.41	kJ/mol	Joback Calculated Property
ΔvapH°	60.76	kJ/mol	Joback Calculated Property
log10WS	-4.40		Crippen Calculated Property
logPoct/wat	4.022		Crippen Calculated Property
McVol	213.420	ml/mol	McGowan Calculated Property
Pc	1975.31	kPa	Joback Calculated Property
Inp	[1791.90; 1810.00]
Inp	1791.90		NIST
Inp	1810.00		NIST
Inp	1791.90		NIST
Tboil	678.25	K	Joback Calculated Property
Tc	903.67	K	Joback Calculated Property
Tfus	398.02	K	Joback Calculated Property
Vc	0.803	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.26; 718.81]	J/mol×K	[678.25; 903.67]
Cp,gas	609.26	J/mol×K	678.25	Joback Calculated Property
Cp,gas	629.72	J/mol×K	715.82	Joback Calculated Property
Cp,gas	649.10	J/mol×K	753.39	Joback Calculated Property
Cp,gas	667.55	J/mol×K	790.96	Joback Calculated Property
Cp,gas	685.22	J/mol×K	828.53	Joback Calculated Property
Cp,gas	702.26	J/mol×K	866.10	Joback Calculated Property
Cp,gas	718.81	J/mol×K	903.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Methylisocosticate.

Sources

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

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