Chemical Properties of 1,2-PENTANEDIOL (CAS 5343-92-0)

InChI

InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3

InChI Key

WCVRQHFDJLLWFE-UHFFFAOYSA-N

Formula

C5H12O2

SMILES

CCCC(O)CO

Molecular Weight¹

104.15

CAS

5343-92-0

Other Names

• pentane-1,2-diol

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• ρ_l : Liquid Density (kg/m³).
• 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
ΔcH°liquid	-3135.80 ± 7.50	kJ/mol	NIST
ΔfH°gas	-465.10 ± 7.50	kJ/mol	NIST
ΔfH°liquid	-546.70 ± 7.50	kJ/mol	NIST
ΔfusH°	13.36	kJ/mol	Joback Calculated Property
ΔvapH°	[74.60; 81.60]	kJ/mol
ΔvapH°	74.60 ± 0.30	kJ/mol	NIST
ΔvapH°	81.60 ± 0.20	kJ/mol	NIST
ΔvapH°	81.60	kJ/mol	NIST
IE	10.12	eV	Relay (1.0) Calculated Property
log10WS	0.23		Relay (1.0) Calculated Property
logPoct/wat	0.140		Crippen Calculated Property
McVol	93.050	ml/mol	McGowan Calculated Property
Pc	4409.10	kPa	Joback Calculated Property
Tboil	[450.15; 484.00]	K
Tboil	479.20	K	NIST
Tboil	479.15 ± 2.00	K	NIST
Tboil	483.15 ± 3.00	K	NIST
Tboil	479.15 ± 2.00	K	NIST
Tboil	484.00 ± 2.00	K	NIST
Tboil	482.65 ± 3.00	K	NIST
Tboil	Outlier 450.15 ± 3.00	K	NIST
Tc	660.86	K	Relay (1.0) Calculated Property
Tfus	265.59	K	Relay (1.0) Calculated Property
Vc	0.345	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.31; 255.10]	J/mol×K	[497.72; 658.58]
Cp,gas	213.31	J/mol×K	497.72	Joback Calculated Property
Cp,gas	220.99	J/mol×K	524.53	Joback Calculated Property
Cp,gas	228.37	J/mol×K	551.34	Joback Calculated Property
Cp,gas	235.47	J/mol×K	578.15	Joback Calculated Property
Cp,gas	242.28	J/mol×K	604.96	Joback Calculated Property
Cp,gas	248.82	J/mol×K	631.77	Joback Calculated Property
Cp,gas	255.10	J/mol×K	658.58	Joback Calculated Property
η	[0.0136600; 0.0769600]	Pa×s	[293.15; 323.15]
η	0.0769600	Pa×s	293.15	Excess molar volume and viscosity deviation for binary mixtures of polyethylene glycol dimethyl ether 250 with 1,2-alkanediols (C3 C6) at T = (293.15 to 323.15) K
η	0.0391600	Pa×s	303.15	Excess molar volume and viscosity deviation for binary mixtures of polyethylene glycol dimethyl ether 250 with 1,2-alkanediols (C3 C6) at T = (293.15 to 323.15) K
η	0.0225200	Pa×s	313.15	Excess molar volume and viscosity deviation for binary mixtures of polyethylene glycol dimethyl ether 250 with 1,2-alkanediols (C3 C6) at T = (293.15 to 323.15) K
η	0.0136600	Pa×s	323.15	Excess molar volume and viscosity deviation for binary mixtures of polyethylene glycol dimethyl ether 250 with 1,2-alkanediols (C3 C6) at T = (293.15 to 323.15) K
ρl	966.68	kg/m3	298.15	Excess volumes and excess heat capacities of {1,2- alkanediol + methanol} mixtures and ionic volumes in these systems

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[372.72; 504.79]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.66293e+01
Coefficient B			-4.86217e+03
Coefficient C			-7.51880e+01
Temperature range, min.			372.72
Temperature range, max.			504.79
Pvap	1.33	kPa	372.72	Calculated Property
Pvap	2.87	kPa	387.39	Calculated Property
Pvap	5.78	kPa	402.07	Calculated Property
Pvap	10.96	kPa	416.74	Calculated Property
Pvap	19.69	kPa	431.42	Calculated Property
Pvap	33.79	kPa	446.09	Calculated Property
Pvap	55.66	kPa	460.77	Calculated Property
Pvap	88.37	kPa	475.44	Calculated Property
Pvap	135.80	kPa	490.12	Calculated Property
Pvap	202.64	kPa	504.79	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-PENTANEDIOL.

Mixtures

• 1,2-PENTANEDIOL + Methyl Alcohol

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Liquid phase behavior of hexafluorophosphate ionic liquids with polyhydric alcohols
• Phase behavior of imidazolium and phosphonium tetrafluoroborates with dihydroxy alcohols
• Excess volumes and excess heat capacities of {1,2- alkanediol + methanol} mixtures and ionic volumes in these systems
• Excess molar volume and viscosity deviation for binary mixtures of polyethylene glycol dimethyl ether 250 with 1,2-alkanediols (C3 C6) at T = (293.15 to 323.15) K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.