Chemical Properties of Methyl cyclohexanecarboxylate, 4-(1,1-dimethylethyl), # 1

InChI

InChI=1S/C12H22O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h9-10H,5-8H2,1-4H3

InChI Key

BWJSSYBIZVGKBG-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

COC(=O)C1CCC(C(C)(C)C)CC1

Molecular Weight¹

198.30

• 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°	-164.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-510.58	kJ/mol	Joback Calculated Property
ΔfusH°	15.12	kJ/mol	Joback Calculated Property
ΔvapH°	50.29	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	3.012		Crippen Calculated Property
McVol	176.520	ml/mol	McGowan Calculated Property
Pc	2197.95	kPa	Joback Calculated Property
Inp	[1333.00; 1350.00]
Inp	1333.00		NIST
Inp	1341.00		NIST
Inp	1350.00		NIST
Inp	1333.00		NIST
I	[1639.00; 1671.00]
I	1639.00		NIST
I	1655.00		NIST
I	1671.00		NIST
I	1639.00		NIST
Tboil	561.90	K	Joback Calculated Property
Tc	773.24	K	Joback Calculated Property
Tfus	302.72	K	Joback Calculated Property
Vc	0.652	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[458.11; 565.28]	J/mol×K	[561.90; 773.24]
Cp,gas	458.11	J/mol×K	561.90	Joback Calculated Property
Cp,gas	478.84	J/mol×K	597.12	Joback Calculated Property
Cp,gas	498.39	J/mol×K	632.35	Joback Calculated Property
Cp,gas	516.77	J/mol×K	667.57	Joback Calculated Property
Cp,gas	534.02	J/mol×K	702.79	Joback Calculated Property
Cp,gas	550.18	J/mol×K	738.01	Joback Calculated Property
Cp,gas	565.28	J/mol×K	773.24	Joback Calculated Property
η	[0.0002076; 0.0039043]	Pa×s	[302.72; 561.90]
η	0.0039043	Pa×s	302.72	Joback Calculated Property
η	0.0017642	Pa×s	345.92	Joback Calculated Property
η	0.0009509	Pa×s	389.11	Joback Calculated Property
η	0.0005799	Pa×s	432.31	Joback Calculated Property
η	0.0003869	Pa×s	475.51	Joback Calculated Property
η	0.0002762	Pa×s	518.70	Joback Calculated Property
η	0.0002076	Pa×s	561.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl cyclohexanecarboxylate, 4-(1,1-dimethylethyl), # 1.

Sources

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

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