Chemical Properties of Cyclopropane, 1,1,2,2-tetramethyl- (CAS 4127-47-3)

InChI

InChI=1S/C7H14/c1-6(2)5-7(6,3)4/h5H2,1-4H3

InChI Key

JCHUCGKEGUAHEH-UHFFFAOYSA-N

Formula

C7H14

SMILES

CC1(C)CC1(C)C

Molecular Weight¹

98.19

CAS

4127-47-3

Other Names

• 1,1,2,2-Tetramethylcyclopropane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4635.62 ± 0.84	kJ/mol	NIST
ΔfH°gas	-98.99	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-119.80 ± 0.92	kJ/mol	NIST
ΔfusH°	0.50	kJ/mol	Joback Calculated Property
ΔvapH°	34.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
logPoct/wat	2.442		Crippen Calculated Property
McVol	98.630	ml/mol	McGowan Calculated Property
Inp	[618.00; 625.00]
Inp	618.00		NIST
Inp	621.00		NIST
Inp	621.00		NIST
Inp	621.00		NIST
Inp	622.00		NIST
Inp	620.00		NIST
Inp	622.00		NIST
Inp	621.20		NIST
Inp	618.00		NIST
Inp	621.00		NIST
Inp	622.00		NIST
Inp	621.00		NIST
Inp	Outlier 625.00		NIST
Inp	618.00		NIST
Inp	620.00		NIST
Inp	622.00		NIST
Tboil	[349.00; 349.04]	K
Tboil	349.00 ± 0.20	K	NIST
Tboil	349.00 ± 0.20	K	NIST
Tboil	349.00 ± 0.30	K	NIST
Tboil	349.00 ± 0.30	K	NIST
Tboil	349.04 ± 0.30	K	NIST
Tfus	[192.10; 192.46]	K
Tfus	192.40 ± 1.50	K	NIST
Tfus	192.41 ± 0.02	K	NIST
Tfus	192.41 ± 0.02	K	NIST
Tfus	192.43 ± 0.01	K	NIST
Tfus	192.46 ± 0.15	K	NIST
Tfus	192.41 ± 0.10	K	NIST
Tfus	192.46 ± 0.30	K	NIST
Tfus	192.40 ± 0.40	K	NIST
Tfus	192.33 ± 0.15	K	NIST
Tfus	Outlier 192.10 ± 0.30	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.90; 254.53]	J/mol×K	[362.11; 556.59]
Cp,gas	177.90	J/mol×K	362.11	Joback Calculated Property
Cp,gas	193.91	J/mol×K	394.52	Joback Calculated Property
Cp,gas	208.42	J/mol×K	426.94	Joback Calculated Property
Cp,gas	221.59	J/mol×K	459.35	Joback Calculated Property
Cp,gas	233.56	J/mol×K	491.76	Joback Calculated Property
Cp,gas	244.49	J/mol×K	524.18	Joback Calculated Property
Cp,gas	254.53	J/mol×K	556.59	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[270.96; 366.72]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.73089e+01
Coefficient B			-3.89273e+03
Coefficient C			-4.22570e+01
Temperature range, min.			270.96
Temperature range, max.			366.72
Pvap	1.33	kPa	270.96	Calculated Property
Pvap	2.84	kPa	281.60	Calculated Property
Pvap	5.68	kPa	292.24	Calculated Property
Pvap	10.73	kPa	302.88	Calculated Property
Pvap	19.27	kPa	313.52	Calculated Property
Pvap	33.12	kPa	324.16	Calculated Property
Pvap	54.73	kPa	334.80	Calculated Property
Pvap	87.30	kPa	345.44	Calculated Property
Pvap	134.91	kPa	356.08	Calculated Property
Pvap	202.63	kPa	366.72	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropane, 1,1,2,2-tetramethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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