Chemical Properties of Cyclopentane, 1,1,3-trimethyl- (CAS 4516-69-2)

InChI

InChI=1S/C8H16/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3

InChI Key

OBKHYUIZSOIEPG-UHFFFAOYSA-N

Formula

C8H16

SMILES

CC1CCC(C)(C)C1

Molecular Weight¹

112.21

CAS

4516-69-2

Other Names

• 1,1,3-Trimethylcyclopentane

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	39.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-153.07	kJ/mol	Joback Calculated Property
ΔfusH°	5.18	kJ/mol	Joback Calculated Property
ΔvapH°	36.00	kJ/mol	NIST
log10WS	-4.48		Aq. Sol...
logPoct/wat	2.833		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	3107.10	kPa	Joback Calculated Property
Inp	[714.00; 740.00]
Inp	Outlier 714.00		NIST
Inp	719.00		NIST
Inp	723.10		NIST
Inp	727.10		NIST
Inp	723.00		NIST
Inp	724.00		NIST
Inp	726.00		NIST
Inp	721.80		NIST
Inp	723.70		NIST
Inp	725.70		NIST
Inp	727.50		NIST
Inp	723.70		NIST
Inp	719.00		NIST
Inp	721.00		NIST
Inp	723.00		NIST
Inp	725.00		NIST
Inp	727.00		NIST
Inp	729.00		NIST
Inp	726.00		NIST
Inp	726.10		NIST
Inp	724.00		NIST
Inp	724.00		NIST
Inp	724.00		NIST
Inp	725.50		NIST
Inp	724.80		NIST
Inp	Outlier 736.00		NIST
Inp	724.00		NIST
Inp	728.00		NIST
Inp	720.00		NIST
Inp	722.00		NIST
Inp	724.00		NIST
Inp	726.00		NIST
Inp	728.00		NIST
Inp	724.60		NIST
Inp	724.00		NIST
Inp	720.00		NIST
Inp	Outlier 740.00		NIST
Inp	720.00		NIST
Inp	724.00		NIST
Inp	727.00		NIST
Inp	731.00		NIST
Inp	728.00		NIST
Inp	720.42		NIST
Inp	723.00		NIST
Inp	723.10		NIST
Inp	718.58		NIST
Inp	721.60		NIST
Inp	719.32		NIST
Inp	719.35		NIST
Inp	719.00		NIST
Inp	722.00		NIST
Inp	724.00		NIST
Inp	Outlier 733.00		NIST
Inp	722.00		NIST
Inp	727.00		NIST
Inp	723.00		NIST
Inp	726.00		NIST
Inp	722.00		NIST
Inp	722.00		NIST
Inp	720.00		NIST
Inp	724.00		NIST
Inp	722.70		NIST
Inp	723.60		NIST
Inp	725.10		NIST
Inp	726.30		NIST
Inp	727.40		NIST
Inp	728.40		NIST
Inp	722.00		NIST
Inp	723.00		NIST
Inp	725.00		NIST
Inp	726.00		NIST
Inp	727.00		NIST
Inp	728.00		NIST
Inp	719.00		NIST
Inp	Outlier 740.00		NIST
Inp	Outlier 714.00		NIST
Inp	725.00		NIST
Inp	720.42		NIST
Inp	722.00		NIST
Inp	725.10		NIST
Inp	723.00		NIST
Inp	719.00		NIST
Tboil	378.04	K	KDB
Tc	594.34	K	Joback Calculated Property
Tfus	[130.69; 130.95]	K
Tfus	Outlier 130.95	K	Aq. Sol...
Tfus	130.77 ± 0.20	K	NIST
Tfus	130.69 ± 0.20	K	NIST
Tfus	130.69 ± 0.15	K	NIST
Tfus	130.71 ± 0.15	K	NIST
Tfus	130.71 ± 0.12	K	NIST
Vc	0.421	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.45; 304.76]	J/mol×K	[393.29; 594.34]
Cp,gas	214.45	J/mol×K	393.29	Joback Calculated Property
Cp,gas	232.08	J/mol×K	426.80	Joback Calculated Property
Cp,gas	248.56	J/mol×K	460.31	Joback Calculated Property
Cp,gas	263.98	J/mol×K	493.81	Joback Calculated Property
Cp,gas	278.43	J/mol×K	527.32	Joback Calculated Property
Cp,gas	292.00	J/mol×K	560.83	Joback Calculated Property
Cp,gas	304.76	J/mol×K	594.34	Joback Calculated Property
ΔvapH	35.40	kJ/mol	316.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[273.42; 404.73]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38361e+01
Coefficient B			-3.01876e+03
Coefficient C			-5.06060e+01
Temperature range, min.			273.42
Temperature range, max.			404.73
Pvap	1.33	kPa	273.42	Calculated Property
Pvap	3.07	kPa	288.01	Calculated Property
Pvap	6.40	kPa	302.60	Calculated Property
Pvap	12.33	kPa	317.19	Calculated Property
Pvap	22.19	kPa	331.78	Calculated Property
Pvap	37.69	kPa	346.37	Calculated Property
Pvap	60.90	kPa	360.96	Calculated Property
Pvap	94.26	kPa	375.55	Calculated Property
Pvap	140.50	kPa	390.14	Calculated Property
Pvap	202.66	kPa	404.73	Calculated Property
Pvap	[6.13; 104.49]	kPa	[301.15; 379.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.47134e+01
Coefficient B			-7.04411e+03
Coefficient C			-1.05632e+01
Coefficient D			8.61233e-06
Temperature range, min.			301.15
Temperature range, max.			379.15
Pvap	6.13	kPa	301.15	Calculated Property
Pvap	9.15	kPa	309.82	Calculated Property
Pvap	13.30	kPa	318.48	Calculated Property
Pvap	18.88	kPa	327.15	Calculated Property
Pvap	26.23	kPa	335.82	Calculated Property
Pvap	35.74	kPa	344.48	Calculated Property
Pvap	47.83	kPa	353.15	Calculated Property
Pvap	62.97	kPa	361.82	Calculated Property
Pvap	81.68	kPa	370.48	Calculated Property
Pvap	104.49	kPa	379.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, 1,1,3-trimethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.