Chemical Properties of (R)-(-)-2-Pentanol (CAS 31087-44-2)

InChI

InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1

InChI Key

JYVLIDXNZAXMDK-YFKPBYRVSA-N

Formula

C5H12O

SMILES

CCCC(C)O

Molecular Weight¹

88.15

CAS

31087-44-2

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• 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
ω	0.5494		Relay (1.0) Calculated Property
ΔfG°	-148.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-329.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.27	kJ/mol	Joback Calculated Property
ΔvapH°	54.35	kJ/mol	Relay (1.0) Calculated Property
IE	10.00	eV	Relay (1.0) Calculated Property
log10WS	-0.31		Relay (1.0) Calculated Property
logPoct/wat	1.167		Crippen Calculated Property
McVol	87.180	ml/mol	McGowan Calculated Property
Pc	3916.03	kPa	Joback Calculated Property
Tboil	[392.70; 402.00]	K
Tboil	392.70	K	NIST
Tboil	402.00 ± 0.30	K	NIST
Tc	551.37	K	Relay (1.0) Calculated Property
Tfus	189.12	K	Relay (1.0) Calculated Property
Vc	0.332	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.82; 216.94]	J/mol×K	[405.54; 570.76]
Cp,gas	169.82	J/mol×K	405.54	Joback Calculated Property
Cp,gas	178.43	J/mol×K	433.08	Joback Calculated Property
Cp,gas	186.73	J/mol×K	460.61	Joback Calculated Property
Cp,gas	194.72	J/mol×K	488.15	Joback Calculated Property
Cp,gas	202.42	J/mol×K	515.68	Joback Calculated Property
Cp,gas	209.82	J/mol×K	543.22	Joback Calculated Property
Cp,gas	216.94	J/mol×K	570.76	Joback Calculated Property
η	[0.0002833; 0.3005917]	Pa×s	[191.93; 405.54]
η	0.3005917	Pa×s	191.93	Joback Calculated Property
η	0.0379452	Pa×s	227.53	Joback Calculated Property
η	0.0083860	Pa×s	263.13	Joback Calculated Property
η	0.0026559	Pa×s	298.74	Joback Calculated Property
η	0.0010745	Pa×s	334.34	Joback Calculated Property
η	0.0005174	Pa×s	369.94	Joback Calculated Property
η	0.0002833	Pa×s	405.54	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[304.68; 412.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.70731e+01
Coefficient B			-4.24901e+03
Coefficient C			-5.15440e+01
Temperature range, min.			304.68
Temperature range, max.			412.81
Pvap	1.33	kPa	304.68	Calculated Property
Pvap	2.85	kPa	316.69	Calculated Property
Pvap	5.71	kPa	328.71	Calculated Property
Pvap	10.80	kPa	340.72	Calculated Property
Pvap	19.41	kPa	352.74	Calculated Property
Pvap	33.35	kPa	364.75	Calculated Property
Pvap	55.04	kPa	376.77	Calculated Property
Pvap	87.67	kPa	388.78	Calculated Property
Pvap	135.23	kPa	400.80	Calculated Property
Pvap	202.68	kPa	412.81	Calculated Property

Similar Compounds

Find more compounds similar to (R)-(-)-2-Pentanol.

Sources

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

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