Chemical Properties of Cyclopentane, (1,1-dimethylethyl)- (CAS 3875-52-3)

InChI

InChI=1S/C9H18/c1-9(2,3)8-6-4-5-7-8/h8H,4-7H2,1-3H3

InChI Key

BFWVYBVSRYIDHI-UHFFFAOYSA-N

Formula

C9H18

SMILES

CC(C)(C)C1CCCC1

Molecular Weight¹

126.24

CAS

3875-52-3

Other Names

• tert-Butylcyclopentane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_c : Critical Pressure (kPa).
• P_vap : Vapor 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2559		Relay (1.0) Calculated Property
ΔfusH°	5.59	kJ/mol	Joback Calculated Property
ΔvapH°	42.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	126.810	ml/mol	McGowan Calculated Property
Pc	2820.33	kPa	Joback Calculated Property
Inp	[877.50; 881.30]
Inp	877.50		NIST
Inp	881.30		NIST
Tboil	[417.95; 418.40]	K
Tboil	417.95 ± 0.20	K	NIST
Tboil	418.10 ± 1.00	K	NIST
Tboil	417.99 ± 0.20	K	NIST
Tboil	418.40 ± 1.00	K	NIST
Tc	624.35	K	Relay (1.0) Calculated Property
Tfus	[177.00; 177.33]	K
Tfus	177.33 ± 0.20	K	NIST
Tfus	177.19 ± 0.20	K	NIST
Tfus	177.19 ± 0.20	K	NIST
Tfus	177.00 ± 2.00	K	NIST
Tfus	177.21 ± 0.20	K	NIST
Tfus	177.23 ± 0.30	K	NIST
Tfus	177.00 ± 3.00	K	NIST
Tfus	177.00 ± 3.00	K	NIST

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.72; 468.41]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.02500e+01
Coefficient B			1.11636e+00
Coefficient C			-7.65000e-04
Coefficient D			2.07300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.72	J/mol×K	273.00	Calculated Property
Cp,gas	218.13	J/mol×K	353.78	Calculated Property
Cp,gas	267.42	J/mol×K	434.56	Calculated Property
Cp,gas	310.26	J/mol×K	515.33	Calculated Property
Cp,gas	347.29	J/mol×K	596.11	Calculated Property
Cp,gas	379.19	J/mol×K	676.89	Calculated Property
Cp,gas	406.59	J/mol×K	757.67	Calculated Property
Cp,gas	430.16	J/mol×K	838.44	Calculated Property
Cp,gas	450.54	J/mol×K	919.22	Calculated Property
Cp,gas	468.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0232022; 0.0002895]	Pa×s	[177.14; 435.35]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.11548e+01
Coefficient B			1.30932e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			177.14
Temperature range, max.			435.35
η	0.0232022	Pa×s	177.14	Calculated Property
η	0.0082817	Pa×s	205.83	Calculated Property
η	0.0038034	Pa×s	234.52	Calculated Property
η	0.0020696	Pa×s	263.21	Calculated Property
η	0.0012693	Pa×s	291.90	Calculated Property
η	0.0008496	Pa×s	320.59	Calculated Property
η	0.0006075	Pa×s	349.28	Calculated Property
η	0.0004571	Pa×s	377.97	Calculated Property
η	0.0003580	Pa×s	406.66	Calculated Property
η	0.0002895	Pa×s	435.35	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[303.28; 447.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37426e+01
Coefficient B			-3.25078e+03
Coefficient C			-6.16710e+01
Temperature range, min.			303.28
Temperature range, max.			447.24
Pvap	1.33	kPa	303.28	Calculated Property
Pvap	3.08	kPa	319.28	Calculated Property
Pvap	6.43	kPa	335.27	Calculated Property
Pvap	12.40	kPa	351.27	Calculated Property
Pvap	22.31	kPa	367.26	Calculated Property
Pvap	37.87	kPa	383.26	Calculated Property
Pvap	61.13	kPa	399.25	Calculated Property
Pvap	94.50	kPa	415.25	Calculated Property
Pvap	140.69	kPa	431.24	Calculated Property
Pvap	202.65	kPa	447.24	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, (1,1-dimethylethyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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