NIST Hydrocarbon C2H6 tables

C₂H₆ - Ethane

Molecular constants for ¹²C and ¹³C
isotopic forms of CH₃CD₃
Parameter	CH₃CD₃	Ref.	¹³CH₃CD₃	CH₃¹³CD₃	Ref.
B [MHz]	16 503.81(81)	84030	16 088.428(30)	16 251.914(30)	77039
D_J [MHz]	0.0195(14)
D_JK [MHz]	0.0493(66)
D_K [MHz]	0.1421
ρ	0.333 9792(22)
V₃ (cm^-1)	1004.13(21)
F [MHz]	-143.(9)
D_Jm [MHz]	2.55(9)
d_J [MHz]	6.18(27)
I_α (u Å²)	3.1549(12) ^a
µ₀ [C · m] µ₀ [D]	0.036 9255(17)x 10^-30 0.010 8617(5)		0.035 59(33) x 10^-30 0.010 67(10)	0.036 56(37) x 10^-30 0.010 96(11)	77039
µ₁ [C · m] µ₁ [D]	0.036 93(37) x 10^-30 0.01107(11) ^b
(α_\|\| - α_⊥) (10^-24 cm³)	0.672(27)
g_\|\| (µ_N)	+0.164 51(25)
g_⊥ (µ_N)	+0.003 25(16)
(χ_\|\| - χ_⊥) (10^-3 J/T²)	-90.2(15)

^a Calculated from ρ = I_α/(I_α + I_F) using I_a = 9.4965(20) u Å².
^b Reference [71047].

Molecular constants for CH₃CHD₂
Parameter	Ground State	Ref.	Torsionally Excited State ^a	Ref.
A [MHz]	60 809.592(5)	79037	60 847.(106)	81043
B [MHz]	17 770.87(16)		17 703.167(48)
C [MHz]	17 084.84(16)		17 030.976(54)
Δ_J [MHz]	0.023 33(45)
Δ_JK [MHz]	0.0602(20)
Δ_K [MHz]	0.177(15)
δ_J [MHz]	0.000 79(16)
δ_K [MHz]	0.050(81)
D [MHz]	-566.319 ± 50 ^b
F [GHz]	257.70(35)
V₃ (cm^-1)	1007.4(9)		1003.0(6)	81043

^a Centrifugal distortion, F and D values assumed to be the same as the ground state.
^b Assumed value.

Molecular constants for CH₃CH₂D, CD₃CH₂D, and *gauche*-CH₂DCH₂D
Parameter	CH₃CH₂D	CD₃CH₂D	g-CH₂DCH₂D	Ref.
A [MHz]	69 640.504(69) ^a	48 650.630(58)	61 360.344(23)	81043
B [MHz]	18 876.23(14)	15 656.793(64)	17 642.0291(75)
C [MHz]	18 209.90(13)	15 194.324(63)	17 036.3299(75)
Δ_J [MHz]	0.026 61(52)	0.017 52(14)	0.024 596(66)
Δ_JK [MHz]	0.0673(13)	0.040 93(57)	0.049 76(10)
Δ_K [MHz]	0.243(16)	0.100(15)	0.1963(35)
δ_J [MHz]	0.001 03(17)	0.000 576(65)	0.001 072 76(91)
δ_K [MHz]	-0.057(65)	-0.050(30)	0.182 52(48)
D [MHz]	(811.64) ^b	(611.36) ^b
F [GHz]	282.795(49)	203.49(65)
V₃ (cm^-1)	1010.90(12)	651.7(38)

^a Values in parentheses denote 2.5 standard errors and apply to the last digits on constants.
^b Fixed. These values were obtained in the same way as in the case of CH₃CHD₂ [see 79037].

C2H6 - Ethane

Molecular constants for 12C and 13C isotopic forms of CH3CD3

Molecular constants for CH3CHD2

Molecular constants for CH3CH2D, CD3CH2D, and gauche-CH2DCH2D

C₂H₆ - Ethane

Molecular constants for ¹²C and ¹³C
isotopic forms of CH₃CD₃

Molecular constants for CH₃CHD₂

Molecular constants for CH₃CH₂D, CD₃CH₂D, and gauche-CH₂DCH₂D