Chemical Properties of Cyclopentane, 1,1,2-trimethyl- (CAS 4259-00-1)

InChI

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

InChI Key

WINCSBAYCULVDU-UHFFFAOYSA-N

Formula

C8H16

SMILES

CC1CCCC1(C)C

Molecular Weight¹

112.21

CAS

4259-00-1

Other Names

• 1,1,2-TRIMETHYLCYCLOPENTANE
• CAMPHOCEAN

• 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°	37.20	kJ/mol	NIST
log10WS	-2.58		Crippen Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	3107.10	kPa	Joback Calculated Property
Inp	[721.00; 779.00]
Inp	749.00		NIST
Inp	768.60		NIST
Inp	Outlier 721.00		NIST
Inp	Outlier 725.00		NIST
Inp	Outlier 729.00		NIST
Inp	758.00		NIST
Inp	763.00		NIST
Inp	768.00		NIST
Inp	772.60		NIST
Inp	777.90		NIST
Inp	758.90		NIST
Inp	761.40		NIST
Inp	763.80		NIST
Inp	766.30		NIST
Inp	763.40		NIST
Inp	756.00		NIST
Inp	758.00		NIST
Inp	760.00		NIST
Inp	763.00		NIST
Inp	765.00		NIST
Inp	768.00		NIST
Inp	764.40		NIST
Inp	764.80		NIST
Inp	762.00		NIST
Inp	760.00		NIST
Inp	761.00		NIST
Inp	768.40		NIST
Inp	768.40		NIST
Inp	763.00		NIST
Inp	768.00		NIST
Inp	760.00		NIST
Inp	763.00		NIST
Inp	764.00		NIST
Inp	767.00		NIST
Inp	770.00		NIST
Inp	749.00		NIST
Inp	760.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	779.00		NIST
Inp	774.00		NIST
Inp	760.30		NIST
Inp	761.10		NIST
Inp	759.70		NIST
Inp	760.00		NIST
Inp	763.00		NIST
Inp	775.00		NIST
Inp	760.00		NIST
Inp	767.00		NIST
Inp	761.00		NIST
Inp	766.00		NIST
Inp	762.00		NIST
Inp	763.00		NIST
Inp	758.00		NIST
Inp	759.00		NIST
Inp	762.60		NIST
Inp	763.90		NIST
Inp	766.10		NIST
Inp	767.90		NIST
Inp	769.40		NIST
Inp	770.80		NIST
Inp	762.00		NIST
Inp	764.00		NIST
Inp	766.00		NIST
Inp	767.00		NIST
Inp	769.00		NIST
Inp	770.00		NIST
Inp	761.00		NIST
Inp	779.00		NIST
Inp	763.00		NIST
Inp	764.00		NIST
Inp	759.00		NIST
Inp	749.00		NIST
Inp	774.00		NIST
Tboil	[386.85; 386.90]	K
Tboil	386.88	K	KDB
Tboil	386.90 ± 0.20	K	NIST
Tboil	386.87 ± 0.02	K	NIST
Tboil	386.85 ± 0.30	K	NIST
Tc	594.34	K	Joback Calculated Property
Tfus	[251.20; 251.51]	K
Tfus	251.20 ± 0.40	K	NIST
Tfus	251.48 ± 0.15	K	NIST
Tfus	251.51 ± 0.05	K	NIST
Tfus	251.20 ± 0.40	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	36.30	kJ/mol	324.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.20; 202.67]	kPa	[251.51; 414.18]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38657e+01
Coefficient B			-3.11289e+03
Coefficient C			-5.02760e+01
Temperature range, min.			251.51
Temperature range, max.			414.18
Pvap	0.20	kPa	251.51	Calculated Property
Pvap	0.72	kPa	269.58	Calculated Property
Pvap	2.12	kPa	287.66	Calculated Property
Pvap	5.37	kPa	305.73	Calculated Property
Pvap	12.01	kPa	323.81	Calculated Property
Pvap	24.31	kPa	341.88	Calculated Property
Pvap	45.32	kPa	359.96	Calculated Property
Pvap	78.89	kPa	378.03	Calculated Property
Pvap	129.61	kPa	396.11	Calculated Property
Pvap	202.67	kPa	414.18	Calculated Property
Pvap	[6.35; 107.75]	kPa	[309.15; 389.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.48795e+01
Coefficient B			-7.22220e+03
Coefficient C			-1.05427e+01
Coefficient D			8.15777e-06
Temperature range, min.			309.15
Temperature range, max.			389.15
Pvap	6.35	kPa	309.15	Calculated Property
Pvap	9.46	kPa	318.04	Calculated Property
Pvap	13.75	kPa	326.93	Calculated Property
Pvap	19.51	kPa	335.82	Calculated Property
Pvap	27.10	kPa	344.71	Calculated Property
Pvap	36.91	kPa	353.59	Calculated Property
Pvap	49.37	kPa	362.48	Calculated Property
Pvap	64.98	kPa	371.37	Calculated Property
Pvap	84.25	kPa	380.26	Calculated Property
Pvap	107.75	kPa	389.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, 1,1,2-trimethyl-.

Sources

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

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