Chemical Properties of Cyclohexane, (1-methylethylidene)- (CAS 5749-72-4)

InChI

InChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h3-7H2,1-2H3

InChI Key

CUYJYVAWBJXBIC-UHFFFAOYSA-N

Formula

C9H16

SMILES

CC(C)=C1CCCCC1

Molecular Weight¹

124.22

CAS

5749-72-4

Other Names

• Cyclohexane, isopropylidene-
• Isopropylidenecyclohexane

• 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°	93.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-88.19	kJ/mol	Joback Calculated Property
ΔfusH°	8.84	kJ/mol	Joback Calculated Property
ΔvapH°	37.23	kJ/mol	Joback Calculated Property
log10WS	-3.34		Crippen Calculated Property
logPoct/wat	3.287		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Pc	3052.41	kPa	Joback Calculated Property
Inp	[955.30; 960.70]
Inp	960.70		NIST
Inp	955.30		NIST
Tboil	[433.00; 437.00]	K
Tboil	435.00 ± 2.00	K	NIST
Tboil	433.00 ± 4.00	K	NIST
Tboil	437.00 ± 3.00	K	NIST
Tboil	434.00 ± 4.00	K	NIST
Tboil	434.00 ± 5.00	K	NIST
Tc	647.27	K	Joback Calculated Property
Tfus	199.21	K	Joback Calculated Property
Vc	0.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.39; 333.35]	J/mol×K	[436.06; 647.27]
Cp,gas	242.39	J/mol×K	436.06	Joback Calculated Property
Cp,gas	259.79	J/mol×K	471.26	Joback Calculated Property
Cp,gas	276.24	J/mol×K	506.46	Joback Calculated Property
Cp,gas	291.79	J/mol×K	541.66	Joback Calculated Property
Cp,gas	306.47	J/mol×K	576.86	Joback Calculated Property
Cp,gas	320.31	J/mol×K	612.06	Joback Calculated Property
Cp,gas	333.35	J/mol×K	647.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, (1-methylethylidene)-.

Sources

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

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