Chemical Properties of Heptane, 2,4,5-trimethyl- (CAS 20278-84-6)

InChI

InChI=1S/C10H22/c1-6-9(4)10(5)7-8(2)3/h8-10H,6-7H2,1-5H3

InChI Key

YMBNRMDSLJNNPF-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCC(C)C(C)CC(C)C

Molecular Weight¹

142.28

CAS

20278-84-6

Other Names

• 2,4,5-Trimethylheptane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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°	26.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-265.57	kJ/mol	Joback Calculated Property
ΔfusH°	11.09	kJ/mol	Joback Calculated Property
ΔvapH°	46.90	kJ/mol	NIST
log10WS	-3.28		Crippen Calculated Property
logPoct/wat	3.715		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	2155.30	kPa	Joback Calculated Property
Inp	[906.00; 908.00]
Inp	907.00		NIST
Inp	906.70		NIST
Inp	906.00		NIST
Inp	908.00		NIST
Inp	907.00		NIST
Tboil	426.88	K	Joback Calculated Property
Tc	600.24	K	Joback Calculated Property
Tfus	157.46	K	Joback Calculated Property
Vc	0.578	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.23; 404.05]	J/mol×K	[426.88; 600.24]
Cp,gas	315.23	J/mol×K	426.88	Joback Calculated Property
Cp,gas	331.59	J/mol×K	455.77	Joback Calculated Property
Cp,gas	347.31	J/mol×K	484.67	Joback Calculated Property
Cp,gas	362.39	J/mol×K	513.56	Joback Calculated Property
Cp,gas	376.87	J/mol×K	542.45	Joback Calculated Property
Cp,gas	390.75	J/mol×K	571.35	Joback Calculated Property
Cp,gas	404.05	J/mol×K	600.24	Joback Calculated Property
η	[0.0002081; 0.0495825]	Pa×s	[157.46; 426.88]
η	0.0495825	Pa×s	157.46	Joback Calculated Property
η	0.0072381	Pa×s	202.36	Joback Calculated Property
η	0.0021254	Pa×s	247.27	Joback Calculated Property
η	0.0009096	Pa×s	292.17	Joback Calculated Property
η	0.0004880	Pa×s	337.07	Joback Calculated Property
η	0.0003031	Pa×s	381.98	Joback Calculated Property
η	0.0002081	Pa×s	426.88	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[314.46; 458.57]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41575e+01
Coefficient B			-3.51950e+03
Coefficient C			-6.07060e+01
Temperature range, min.			314.46
Temperature range, max.			458.57
Pvap	1.33	kPa	314.46	Calculated Property
Pvap	3.04	kPa	330.47	Calculated Property
Pvap	6.31	kPa	346.48	Calculated Property
Pvap	12.13	kPa	362.50	Calculated Property
Pvap	21.82	kPa	378.51	Calculated Property
Pvap	37.12	kPa	394.52	Calculated Property
Pvap	60.15	kPa	410.53	Calculated Property
Pvap	93.42	kPa	426.55	Calculated Property
Pvap	139.85	kPa	442.56	Calculated Property
Pvap	202.65	kPa	458.57	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 2,4,5-trimethyl-.

Sources

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

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